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

Systemtic Name: 4-ethoxy-N-[(4-methylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-3-nitro-N-(p-tolylcarbamothioyl)benzamide CAS Name: 4-ethoxy-N-[(4-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(4-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-3-nitro-N-(p-tolylthiocarbamoyl)benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-3-24-15-9-6-12(10-14(15)20(22)23)16(21)19-17(25)18-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H2,18,19,21,25)