1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylthiazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-2-thiazolyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methylthiazol-2-yl)thio]propan-1-one Formula: C16H18N2OS2 MolecularWeight: 318.45692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CSC(=N1)SC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H18N2OS2/c1-11-10-20-16(17-11)21-12(2)15(19)18-8-7-13-5-3-4-6-14(13)9-18/h3-6,10,12H,7-9H2,1-2H3