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

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-oxo-2-(2-oxolanylmethylamino)ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CC(OC1)CNC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C20H23N5O6S/c21-16-17(19(22)27)24-32-18(16)20(28)25(9-15(26)23-7-12-2-1-5-29-12)8-11-3-4-13-14(6-11)31-10-30-13/h3-4,6,12H,1-2,5,7-10,21H2,(H2,22,27)(H,23,26)