N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C21H18FN5O3S3 MolecularWeight: 503.592723

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H18FN5O3S3/c1-2-31-21-26-25-20(32-21)24-19(28)13-27(16-8-6-15(22)7-9-16)33(29,30)18-5-3-4-14-12-23-11-10-17(14)18/h3-12H,2,13H2,1H3,(H,24,25,28)