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

Systemtic Name: N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2-hydroxy-4-methyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2-hydroxy-4-methyl-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-9-5-6-12(13(19)7-9)16-15(23)17-14(20)10-3-2-4-11(8-10)18(21)22/h2-8,19H,1H3,(H2,16,17,20,23)