3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H16N4O3S2/c1-2-24-16-19-18-15(25-16)17-12(21)7-8-20-13(22)9-10-5-3-4-6-11(10)14(20)23/h3-6H,2,7-9H2,1H3,(H,17,18,21)