1-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea Traditional Name: 1-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea Formula: C22H18F3N3O2S MolecularWeight: 445.45743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H18F3N3O2S/c23-22(24,25)16-4-7-17(8-5-16)26-21(30)27-18-6-3-14-9-10-28(13-15(14)12-18)20(29)19-2-1-11-31-19/h1-8,11-12H,9-10,13H2,(H2,26,27,30)