N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C19H24N6O4S2 MolecularWeight: 464.56166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)N(C(=N3)C4CCCN(C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)N(C(=N3)C4CCCN(C4)S(=O)(=O)C)C

InChI

InChI=1S/C19H24N6O4S2/c1-12-6-7-14-15(9-12)30-18(20-14)21-16(26)11-25-19(27)23(2)17(22-25)13-5-4-8-24(10-13)31(3,28)29/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,20,21,26)