4-chloranyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2-ethyl-6-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C17H16ClN3O3S MolecularWeight: 377.84524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

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