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

Systemtic Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5-indolin-1-ylsulfonyl-2-methoxy-benzamide CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-5-indolin-1-ylsulfonyl-2-methoxy-benzamide Formula: C21H20N4O4S3 MolecularWeight: 488.6029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NC4=NN=C(S4)SCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NC4=NN=C(S4)SCC=C

InChI

InChI=1S/C21H20N4O4S3/c1-3-12-30-21-24-23-20(31-21)22-19(26)16-13-15(8-9-18(16)29-2)32(27,28)25-11-10-14-6-4-5-7-17(14)25/h3-9,13H,1,10-12H2,2H3,(H,22,23,26)