2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N-(2,6-dimethylphenyl)acetamide Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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