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

Systemtic Name: N-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: N-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-sulfanylidenecyclohexa-1,5-diene-1-carboxamide Traditional Name: N-[4-(4-benzhydrylpiperazino)butyl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC(=S)CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC(=S)CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3OS/c32-28(25-14-9-15-26(33)22-25)29-16-7-8-17-30-18-20-31(21-19-30)27(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-6,9-14,22,27H,7-8,15-21H2,(H,29,32)