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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C33H32N4O3S MolecularWeight: 564.69718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H32N4O3S/c1-40-27-18-16-26(17-19-27)31(38)35-33(41)34-29-15-9-8-14-28(29)32(39)37-22-20-36(21-23-37)30(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,30H,20-23H2,1H3,(H2,34,35,38,41)