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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C34H34N4O3S MolecularWeight: 578.72376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C34H34N4O3S/c1-2-41-28-17-11-16-27(24-28)32(39)36-34(42)35-30-19-10-9-18-29(30)33(40)38-22-20-37(21-23-38)31(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-19,24,31H,2,20-23H2,1H3,(H2,35,36,39,42)