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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[5-isoquinolinylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide Formula: C16H17N5O3S3 MolecularWeight: 423.53288

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H17N5O3S3/c1-3-25-16-20-19-15(26-16)18-14(22)10-21(2)27(23,24)13-6-4-5-11-9-17-8-7-12(11)13/h4-9H,3,10H2,1-2H3,(H,18,19,22)