Molecule ID: 667466

IUPAC Name: (3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine

Description: The molecule is a tertiary amine and a member of thioxanthenes. It has a role as a non-narcotic analgesic, an antiemetic, a sedative, a cholinergic antagonist, a dopaminergic antagonist and a first generation antipsychotic.

SMILES: CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21

SELFIES: [C][N][Branch1][C][C][C][C][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C]

InChI: InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+

Molecular Properties:
- Polar Surface Area: 28.5 Ų
- LogP: 5.2