4-chloranyl-N-[(2,3-dimethylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2,3-dimethylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2,3-dimethylphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2,3-dimethylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2,3-dimethylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2,3-dimethylphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H14ClN3O3S MolecularWeight: 363.81866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O3S/c1-9-4-3-5-13(10(9)2)18-16(24)19-15(21)11-6-7-12(17)14(8-11)20(22)23/h3-8H,1-2H3,(H2,18,19,21,24)