3-(3,4-dihydro-1H-isoquinolin-2-yl)pentanethioamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)pentanethioamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)pentanethioamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)pentanethioamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)pentanethioamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)thiovaleramide Formula: C14H20N2S MolecularWeight: 248.387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CCC(CC(=S)N)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H20N2S/c1-2-13(9-14(15)17)16-8-7-11-5-3-4-6-12(11)10-16/h3-6,13H,2,7-10H2,1H3,(H2,15,17)