N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: N-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-sulfanylidenecyclohexa-1,5-diene-1-carboxamide Traditional Name: N-[3-(4-benzhydrylpiperazino)propyl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=S)CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=S)CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3OS/c31-27(24-13-7-14-25(32)21-24)28-15-8-16-29-17-19-30(20-18-29)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-7,9-13,21,26H,8,14-20H2,(H,28,31)