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

Systemtic Name: 1-(3-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]urea CAS Name: 1-(3-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]urea Traditional Name: 1-(3-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=C3)Cl)C4=CSC=C4

Isomeric SMILES

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

InChI

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