N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-5-oxidanylidene-thiolane-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-2-oxo-ethyl]-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-5-oxo-3-thiolanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-5-oxothiolane-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-2-keto-ethyl]-5-keto-tetrahydrothiophene-3-carboxamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)SC4

Isomeric SMILES

C1CCC(CC1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)SC4

InChI

InChI=1S/C20H24N2O5S/c23-18(21-14-4-2-1-3-5-14)10-22(20(25)13-8-19(24)28-11-13)15-6-7-16-17(9-15)27-12-26-16/h6-7,9,13-14H,1-5,8,10-12H2,(H,21,23)