N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide Openeye Name: 2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]acetamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide Traditional Name: 2-[(2-allyl-1-keto-5-isoquinolyl)oxy]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

InChI

InChI=1S/C18H18N4O3S2/c1-3-9-22-10-8-12-13(16(22)24)6-5-7-14(12)25-11-15(23)19-17-20-21-18(27-17)26-4-2/h3,5-8,10H,1,4,9,11H2,2H3,(H,19,20,23)