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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O2S/c25-19(20-23-17-3-1-2-4-18(17)27-20)22-16-8-7-13-9-10-24(12-15(13)11-16)21(26)14-5-6-14/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,22,25)