1-(4-chlorophenyl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(4-chlorophenyl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(4-chlorophenyl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S/c22-16-4-7-17(8-5-16)23-21(27)24-18-6-3-14-9-10-25(13-15(14)12-18)20(26)19-2-1-11-28-19/h1-8,11-12H,9-10,13H2,(H2,23,24,27)