N-(2-methylphenyl)-2-[(2-nitrophenyl)carbamothioylamino]-2-phenyl-ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[(2-nitrophenyl)carbamothioylamino]-2-phenyl-ethanamide Openeye Name: 2-[(2-nitrophenyl)carbamothioylamino]-N-(o-tolyl)-2-phenyl-acetamide CAS Name: N-(2-methylphenyl)-2-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-2-phenylacetamide IUPAC Name: N-(2-methylphenyl)-2-[(2-nitrophenyl)carbamothioylamino]-2-phenylacetamide Traditional Name: 2-[(2-nitrophenyl)thiocarbamoylamino]-N-(o-tolyl)-2-phenyl-acetamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S/c1-15-9-5-6-12-17(15)23-21(27)20(16-10-3-2-4-11-16)25-22(30)24-18-13-7-8-14-19(18)26(28)29/h2-14,20H,1H3,(H,23,27)(H2,24,25,30)