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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]acetamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide Formula: C22H21N5O4S3 MolecularWeight: 515.62824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4S3/c1-3-32-22-26-25-21(33-22)24-20(28)14-27(16-7-9-17(31-2)10-8-16)34(29,30)19-6-4-5-15-13-23-12-11-18(15)19/h4-13H,3,14H2,1-2H3,(H,24,25,28)