N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3OS/c1-15(21-22-18-9-5-6-10-19(18)26-21)23(2)20(25)14-24-12-11-16-7-3-4-8-17(16)13-24/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1