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

Systemtic Name: 3,5-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24)