2-(4-chlorophenyl)sulfanyl-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]acetamide Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H16ClN3O3S2/c1-10-3-8-14(21(23)24)16(11(10)2)20-17(25)19-15(22)9-26-13-6-4-12(18)5-7-13/h3-8H,9H2,1-2H3,(H2,19,20,22,25)