N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-piperonyl-cyclohexanecarboxamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O4S2/c26-20(23-10-14-3-6-17-18(9-14)29-12-28-17)15-4-1-13(2-5-15)11-25-21(27)19-16(7-8-31-19)24-22(25)30/h3,6-9,13,15H,1-2,4-5,10-12H2,(H,23,26)(H,24,30)