4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholinosulfonyl-benzamide CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3-morpholinosulfonyl-benzamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N4O4S3/c1-15-7-8-17(13-18(15)32(27,28)25-9-11-29-12-10-25)19(26)22-20-23-24-21(31-20)30-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,23,26)