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

Systemtic Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-methyl-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-methyl-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-3-methyl-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-3-methyl-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C25H26ClN3OS MolecularWeight: 452.01144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=S)C(=C1)C(=O)NN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CCC(=S)C(=C1)C(=O)NN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3OS/c1-18-7-12-23(31)22(17-18)25(30)27-29-15-13-28(14-16-29)24(19-5-3-2-4-6-19)20-8-10-21(26)11-9-20/h2-11,17,24H,12-16H2,1H3,(H,27,30)