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

Systemtic Name: 3-butoxy-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(4-chlorophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[4-(4-chlorophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(4-chlorophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S2/c1-2-3-11-27-17-6-4-5-15(12-17)19(26)24-20(28)25-21-23-18(13-29-21)14-7-9-16(22)10-8-14/h4-10,12-13H,2-3,11H2,1H3,(H2,23,24,25,26,28)