2-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: 2-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: 2-[(4-nitrobenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: 2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[(4-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[(4-nitrobenzoyl)thiocarbamoylamino]-N-phenyl-benzamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c26-19(14-10-12-16(13-11-14)25(28)29)24-21(30)23-18-9-5-4-8-17(18)20(27)22-15-6-2-1-3-7-15/h1-13H,(H,22,27)(H2,23,24,26,30)