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

Systemtic Name: N-[(4-ethoxyphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4-ethoxyphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(4-ethoxyanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4-ethoxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-3-nitro-N-(p-phenetylthiocarbamoyl)benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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