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

Systemtic Name: N-[(4,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2-hydroxy-4,5-dimethyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(2-hydroxy-4,5-dimethylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2-hydroxy-4,5-dimethyl-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)O)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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