N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H17N3O2S2/c26-20(21-24-17-4-1-2-5-18(17)29-21)23-16-8-7-14-9-10-25(13-15(14)12-16)22(27)19-6-3-11-28-19/h1-8,11-12H,9-10,13H2,(H,23,26)