2-chloranyl-N-[2-(1,3-thiazol-4-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(1,3-thiazol-4-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-chloro-N-[2-(thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-chloro-N-[2-[oxo(4-thiazolyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(1,3-thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-chloro-N-[2-(thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)C4=CSC=N4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)C4=CSC=N4

InChI

InChI=1S/C20H16ClN3O2S/c21-17-4-2-1-3-16(17)19(25)23-15-6-5-13-7-8-24(10-14(13)9-15)20(26)18-11-27-12-22-18/h1-6,9,11-12H,7-8,10H2,(H,23,25)