3-butoxy-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-butoxy-benzamide Formula: C36H38N4O3S MolecularWeight: 606.77692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H38N4O3S/c1-2-3-25-43-30-18-12-17-29(26-30)34(41)38-36(44)37-32-20-11-10-19-31(32)35(42)40-23-21-39(22-24-40)33(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-20,26,33H,2-3,21-25H2,1H3,(H2,37,38,41,44)