3-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-2-3-10-25-16-9-4-6-13(11-16)17(22)20-18(26)19-14-7-5-8-15(12-14)21(23)24/h4-9,11-12H,2-3,10H2,1H3,(H2,19,20,22,26)