N-[(2,6-dimethylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-10-6-4-7-11(2)15(10)18-17(24)19-16(21)13-8-5-9-14(12(13)3)20(22)23/h4-9H,1-3H3,(H2,18,19,21,24)