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

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-oxidanylidene-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-methyl-2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-oxo-1-(2-oxolanylmethylamino)propan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-keto-1-methyl-2-(tetrahydrofurfurylamino)ethyl]-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCO1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CC(C(=O)NCC1CCCO1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C21H25N5O6S/c1-11(20(28)24-8-13-3-2-6-30-13)26(9-12-4-5-14-15(7-12)32-10-31-14)21(29)18-16(22)17(19(23)27)25-33-18/h4-5,7,11,13H,2-3,6,8-10,22H2,1H3,(H2,23,27)(H,24,28)