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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C32H29N5O4S MolecularWeight: 579.66876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H29N5O4S/c38-30(25-14-9-15-26(22-25)37(40)41)34-32(42)33-28-17-8-7-16-27(28)31(39)36-20-18-35(19-21-36)29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-17,22,29H,18-21H2,(H2,33,34,38,42)