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

Systemtic Name: 4-butoxy-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-butoxy-benzamide CAS Name: 4-butoxy-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-butoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-butoxy-benzamide Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2S/c1-2-3-22-34-26-16-14-25(15-17-26)28(33)30-29(35)32-20-18-31(19-21-32)27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,27H,2-3,18-22H2,1H3,(H,30,33,35)