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

Systemtic Name: 2-[(2-nitrophenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: 2-[(2-nitrobenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: 2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[(2-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[(2-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(22-14-8-2-1-3-9-14)15-10-4-6-12-17(15)23-21(30)24-20(27)16-11-5-7-13-18(16)25(28)29/h1-13H,(H,22,26)(H2,23,24,27,30)