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

Systemtic Name: 3-nitro-N-[(4-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(4-propoxyphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[(4-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(4-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(4-propoxyphenyl)thiocarbamoyl]benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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