N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-6-thioxo-cyclohexa-1,3-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=CCC4=S

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CCC4=S

InChI

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