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

Systemtic Name: 2-nitro-N-[(3-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 2-nitro-N-[(3-propoxyphenyl)carbamothioyl]benzamide CAS Name: 2-nitro-N-[(3-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[(3-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 2-nitro-N-[(3-propoxyphenyl)thiocarbamoyl]benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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