N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-3-methyl-butanamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-3-methyl-butanamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-3-methyl-butanamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-thiazolyl]-3-methylbutanamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-3-methylbutanamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-3-methyl-butyramide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O2S/c1-12(2)9-16(22)20-18-19-15(11-24-18)17(23)21-8-7-13-5-3-4-6-14(13)10-21/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,22)