2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-(N-mesyl-2-methyl-anilino)acetamide Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H20N4O3S3/c1-14-8-6-7-11-16(14)23(29(2,25)26)12-17(24)20-18-21-22-19(28-18)27-13-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,20,21,24)