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

Systemtic Name: 4-ethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-ethyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

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