N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: N-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-sulfanylidenecyclohexa-1,5-diene-1-carboxamide Traditional Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide Formula: C24H24ClN3OS MolecularWeight: 437.98486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)NC(=O)C4=CC(=S)CC=C4

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)NC(=O)C4=CC(=S)CC=C4

InChI

InChI=1S/C24H24ClN3OS/c25-21-11-9-19(10-12-21)23(18-5-2-1-3-6-18)27-13-15-28(16-14-27)26-24(29)20-7-4-8-22(30)17-20/h1-7,9-12,17,23H,8,13-16H2,(H,26,29)