N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-heptoxy-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-heptoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-heptoxy-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-heptoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-heptoxy-benzamide Formula: C32H39N3O2S MolecularWeight: 529.73596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H39N3O2S/c1-2-3-4-5-12-25-37-29-19-17-28(18-20-29)31(36)33-32(38)35-23-21-34(22-24-35)30(26-13-8-6-9-14-26)27-15-10-7-11-16-27/h6-11,13-20,30H,2-5,12,21-25H2,1H3,(H,33,36,38)