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

Systemtic Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(3,4-dimethylanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(3,4-dimethylphenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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