4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-oxo-2-(2-oxolanylmethylamino)-1-thiophen-2-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-keto-2-(tetrahydrofurfurylamino)-1-(2-thienyl)ethyl]-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C24H25N5O6S2 MolecularWeight: 543.6152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=C(C(=NS5)C(=O)N)N

Isomeric SMILES

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C24H25N5O6S2/c25-18-19(22(26)30)28-37-21(18)24(32)29(11-13-5-6-15-16(9-13)35-12-34-15)20(17-4-2-8-36-17)23(31)27-10-14-3-1-7-33-14/h2,4-6,8-9,14,20H,1,3,7,10-12,25H2,(H2,26,30)(H,27,31)