4-ethyl-3-morpholin-4-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-ethyl-3-morpholin-4-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-3-(4-morpholinylsulfonyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-ethyl-3-morpholin-4-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-ethyl-3-morpholinosulfonyl-benzamide Formula: C18H22N4O4S3 MolecularWeight: 454.58668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O4S3/c1-3-11-27-18-21-20-17(28-18)19-16(23)14-6-5-13(4-2)15(12-14)29(24,25)22-7-9-26-10-8-22/h3,5-6,12H,1,4,7-11H2,2H3,(H,19,20,23)