3-butoxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-3-4-10-26-16-7-5-6-14(11-16)18(23)21-19(27)20-15-9-8-13(2)17(12-15)22(24)25/h5-9,11-12H,3-4,10H2,1-2H3,(H2,20,21,23,27)