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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C18H21N5O4S3 MolecularWeight: 467.58544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S3/c1-3-28-18-22-21-17(29-18)20-16(24)12-23(9-10-27-2)30(25,26)15-6-4-5-13-11-19-8-7-14(13)15/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,21,24)