4-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-3-4-5-13-27-18-11-9-15(10-12-18)19(24)22-20(28)21-16-7-6-8-17(14-16)23(25)26/h6-12,14H,2-5,13H2,1H3,(H2,21,22,24,28)