N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C32H28N6O6S MolecularWeight: 624.66632

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C32H28N6O6S/c39-30(24-19-25(37(41)42)21-26(20-24)38(43)44)34-32(45)33-28-14-8-7-13-27(28)31(40)36-17-15-35(16-18-36)29(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,19-21,29H,15-18H2,(H2,33,34,39,45)