3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(4-phenylthiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(4-phenylthiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-2-3-12-26-17-11-7-10-16(13-17)19(25)23-20(27)24-21-22-18(14-28-21)15-8-5-4-6-9-15/h4-11,13-14H,2-3,12H2,1H3,(H2,22,23,24,25,27)