2-nitro-N-[(4-propoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[(4-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 2-nitro-N-[(4-propoxyphenyl)carbamothioyl]benzamide CAS Name: 2-nitro-N-[(4-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[(4-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 2-nitro-N-[(4-propoxyphenyl)thiocarbamoyl]benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-2-11-24-13-9-7-12(8-10-13)18-17(25)19-16(21)14-5-3-4-6-15(14)20(22)23/h3-10H,2,11H2,1H3,(H2,18,19,21,25)