N-[(4,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(4,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(2-hydroxy-4,5-dimethyl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(2-hydroxy-4,5-dimethylanilino)-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(2-hydroxy-4,5-dimethyl-phenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C(=C2)C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C(=C2)C)C)O)[N+](=O)[O-]

InChI

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