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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-2-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(26-16-8-10-18-28(26)37(40)41)34-32(42)33-27-17-9-7-15-25(27)31(39)36-21-19-35(20-22-36)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29H,19-22H2,(H2,33,34,38,42)