N-(2-aminophenyl)-4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[(3-nitroanilino)-sulfanylidenemethyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[(3-nitrophenyl)thiocarbamoylamino]methyl]benzamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c22-18-6-1-2-7-19(18)25-20(27)15-10-8-14(9-11-15)13-23-21(30)24-16-4-3-5-17(12-16)26(28)29/h1-12H,13,22H2,(H,25,27)(H2,23,24,30)