2-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: 2-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: 2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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