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

Systemtic Name: 4-azanyl-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N5-(2-methylbutan-2-yl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N5-(1,1-dimethylpropyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N5-(2-methylbutan-2-yl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-tert-amyl-N'-[2-keto-2-(piperonylamino)ethyl]isothiazole-3,5-dicarboxamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N(CC(=O)NCC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCC(C)(C)N(CC(=O)NCC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C20H25N5O5S/c1-4-20(2,3)25(19(28)17-15(21)16(18(22)27)24-31-17)9-14(26)23-8-11-5-6-12-13(7-11)30-10-29-12/h5-7H,4,8-10,21H2,1-3H3,(H2,22,27)(H,23,26)