N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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