Molecule ID: 73652100

IUPAC Name: N-[3-[4-[1-(5-chloro-2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Description: The molecule is a member of the class of enamides obtained by formal condensation of the carboxy group of 2-benzamido-3-phenylprop-2-enoic acid with the aromatic amino group of 2-[(4-aminophenyl)sulfanyl]propanoic acid, the carboxy group of which has also undergone formal condensation with the amino group of 5-chloro-2,4-dimethoxyaniline. It is a member of benzamides, an enamide, an aryl sulfide, a dimethoxybenzene, a member of monochlorobenzenes, a substituted aniline and a secondary carboxamide.

SMILES: COc1cc(OC)c(N=C(O)C(C)Sc2ccc(NC(=O)C(=Cc3ccccc3)N=C(O)c3ccccc3)cc2)cc1Cl

SELFIES: [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Branch1][Branch1][N][=C][Branch1][C][O][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Branch2][Cl]

InChI: InChI=1S/C33H30ClN3O5S/c1-21(31(38)36-27-19-26(34)29(41-2)20-30(27)42-3)43-25-16-14-24(15-17-25)35-33(40)28(18-22-10-6-4-7-11-22)37-32(39)23-12-8-5-9-13-23/h4-21H,1-3H3,(H,35,40)(H,36,38)(H,37,39)

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: 6.6