N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C17H16ClN3O3S MolecularWeight: 377.84524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H16ClN3O3S/c1-9-4-5-12(10(2)6-9)16(22)20-17(25)19-14-8-13(18)15(21(23)24)7-11(14)3/h4-8H,1-3H3,(H2,19,20,22,25)