methyl 6-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)hexanoate

Systemtic Name: methyl 6-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)hexanoate Openeye Name: methyl 6-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)hexanoate CAS Name: 6-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)hexanoate Traditional Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)hexanoic acid methyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCC2=CC=CC=C2C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C17H24N2O2S/c1-21-16(20)9-3-2-6-11-18-17(22)19-12-10-14-7-4-5-8-15(14)13-19/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,18,22)