2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)thiazole-4-carboxamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazinophenyl)thiazole-4-carboxamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=CS3)C(=O)NC4=CC=CC=C4N5CCNCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=CS3)C(=O)NC4=CC=CC=C4N5CCNCC5

InChI

InChI=1S/C23H25N5OS/c29-22(25-19-7-3-4-8-21(19)27-13-10-24-11-14-27)20-16-30-23(26-20)28-12-9-17-5-1-2-6-18(17)15-28/h1-8,16,24H,9-15H2,(H,25,29)