N-[4-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-[4-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[4-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[4-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)-2-thiazolyl]-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]acetamide IUPAC Name: N-[4-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide Traditional Name: N-[4-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]acetamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC4C(C=C3)OCCO4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC4C(C=C3)OCCO4

InChI

InChI=1S/C21H27N3O4S2/c1-14-3-2-6-24(10-14)20(26)13-29-12-19(25)23-21-22-16(11-30-21)15-4-5-17-18(9-15)28-8-7-27-17/h4-5,9,11,14,17-18H,2-3,6-8,10,12-13H2,1H3,(H,22,23,25)