1-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]urea CAS Name: 1-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]urea Formula: C22H22ClN3OS MolecularWeight: 411.94758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)NC3=CC=C(C=C3)Cl)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)NC3=CC=C(C=C3)Cl)C4=CSC=C4

InChI

InChI=1S/C22H22ClN3OS/c23-19-5-7-20(8-6-19)25-22(27)24-13-21(18-10-12-28-15-18)26-11-9-16-3-1-2-4-17(16)14-26/h1-8,10,12,15,21H,9,11,13-14H2,(H2,24,25,27)