2-methyl-N-[(3-methylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[(3-methylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-(m-tolylcarbamothioyl)-3-nitro-benzamide CAS Name: 2-methyl-N-[(3-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[(3-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-(m-tolylthiocarbamoyl)-3-nitro-benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-10-5-3-6-12(9-10)17-16(23)18-15(20)13-7-4-8-14(11(13)2)19(21)22/h3-9H,1-2H3,(H2,17,18,20,23)