2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C17H22N4OS3 MolecularWeight: 394.57778

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN(C(=S)S1)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCNC(=O)CSC1=NN(C(=S)S1)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N4OS3/c1-2-8-18-15(22)11-24-16-19-21(17(23)25-16)12-20-9-7-13-5-3-4-6-14(13)10-20/h3-6H,2,7-12H2,1H3,(H,18,22)