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

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S/c1-13(2)21(26)24-10-9-14-7-8-16(11-15(14)12-24)22-19(25)20-23-17-5-3-4-6-18(17)27-20/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)