N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-methyl-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-methyl-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-methyl-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-3-methyl-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-methyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[2-(4-benzhydrylpiperazino)ethyl]-3-methyl-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=S)C(=C1)C(=O)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CCC(=S)C(=C1)C(=O)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3OS/c1-21-12-13-25(32)24(20-21)27(31)28-14-15-29-16-18-30(19-17-29)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-12,20,26H,13-19H2,1H3,(H,28,31)