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

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C14H16N4OS3 MolecularWeight: 352.49804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CN3C(=S)SC(=N3)SCC(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CN3C(=S)SC(=N3)SCC(=O)N

InChI

InChI=1S/C14H16N4OS3/c15-12(19)8-21-13-16-18(14(20)22-13)9-17-6-5-10-3-1-2-4-11(10)7-17/h1-4H,5-9H2,(H2,15,19)