N-[(3,5-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(3,5-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(3,5-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(3,5-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3,5-dimethylphenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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