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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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