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

Systemtic Name: 2-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-3-4-7-13-27-18-12-6-5-11-17(18)19(24)22-20(28)21-15-9-8-10-16(14-15)23(25)26/h5-6,8-12,14H,2-4,7,13H2,1H3,(H2,21,22,24,28)