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

Systemtic Name: N-[(4-ethylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4-ethylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(4-ethylanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4-ethylphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(4-ethylphenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O3S/c1-3-12-7-9-13(10-8-12)18-17(24)19-16(21)14-5-4-6-15(11(14)2)20(22)23/h4-10H,3H2,1-2H3,(H2,18,19,21,24)