N-[(2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-10-5-4-6-11(2)15(10)18-17(25)19-16(21)12-7-8-14(24-3)13(9-12)20(22)23/h4-9H,1-3H3,(H2,18,19,21,25)