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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)NC3=CC=CC=C3Cl)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)NC3=CC=CC=C3Cl)C4=CSC=C4

InChI

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