Molecule ID: 300471

IUPAC Name: 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide

Description: The molecule is a carbohydrazide obtained by formal condensation of the carboxy groups of malonic acid with the hydrino groups of two molar equivalents of N-methylbenzenecarbothiohydrazide It has a role as an antineoplastic agent and an apoptosis inducer. It is a carbohydrazide and a thiocarbonyl compound. It derives from a malonic acid.

SMILES: CN(N=C(O)CC(O)=NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1

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

InChI: InChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: 2.9