3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-4-27-16-10-13(11-17(28-5-2)18(16)29-6-3)19(24)22-20(30)21-14-8-7-9-15(12-14)23(25)26/h7-12H,4-6H2,1-3H3,(H2,21,22,24,30)