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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC=CCC2=S)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC=CCC2=S)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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