N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-5-cyclopropyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-5-cyclopropyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-5-cyclopropyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyclohexyl-5-cyclopropyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-5-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyclohexyl-5-cyclopropyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5)SC=C3C6CC6

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5)SC=C3C6CC6

InChI

InChI=1S/C25H27N3O4S2/c29-21(26-11-15-6-9-19-20(10-15)32-14-31-19)13-34-25-27-23-22(18(12-33-23)16-7-8-16)24(30)28(25)17-4-2-1-3-5-17/h6,9-10,12,16-17H,1-5,7-8,11,13-14H2,(H,26,29)