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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C18H21N5O3S3 MolecularWeight: 451.58604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=NN=C(S1)SCC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(CC(=O)NC1=NN=C(S1)SCC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H21N5O3S3/c1-3-10-23(12-16(24)20-17-21-22-18(28-17)27-4-2)29(25,26)15-7-5-6-13-11-19-9-8-14(13)15/h5-9,11H,3-4,10,12H2,1-2H3,(H,20,21,24)