N-[(4-methylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-methylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-(p-tolylcarbamothioyl)benzamide CAS Name: N-[(4-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-(p-tolylthiocarbamoyl)benzamide Formula: C15H13N3O3S MolecularWeight: 315.34702

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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-]

Isomeric SMILES

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

InChI

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