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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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