2-butoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-butoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-butoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-butoxy-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-butoxy-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

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