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

Systemtic Name: 3-butoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-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/c1-2-3-11-25-14-8-6-7-13(12-14)17(22)20-18(26)19-15-9-4-5-10-16(15)21(23)24/h4-10,12H,2-3,11H2,1H3,(H2,19,20,22,26)