2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioyl-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoyl-methyl-amino]-N-(p-tolyl)acetamide Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O3S/c1-11-3-5-12(6-4-11)19-16(23)10-21(2)17(26)20-15-9-13(22(24)25)7-8-14(15)18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,26)