6-[[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[[2-keto-2-(piperonylamino)ethyl]thio]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C24H24N2O6S/c27-22(25-12-15-5-10-20-21(11-15)32-14-31-20)13-33-17-8-6-16(7-9-17)26-23(28)18-3-1-2-4-19(18)24(29)30/h1-2,5-11,18-19H,3-4,12-14H2,(H,25,27)(H,26,28)(H,29,30)