3-methyl-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-methyl-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-methyl-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-methyl-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-methyl-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-10-5-4-6-11(9-10)14(19)17-15(22)16-12-7-2-3-8-13(12)18(20)21/h2-9H,1H3,(H2,16,17,19,22)