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

Systemtic Name: 4-azanyl-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N5-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N5-(2-thienylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-keto-2-(piperonylamino)ethyl]-N'-(2-thenyl)isothiazole-3,5-dicarboxamide Formula: C20H19N5O5S2 MolecularWeight: 473.52536

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC3=CC=CS3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC3=CC=CS3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C20H19N5O5S2/c21-16-17(19(22)27)24-32-18(16)20(28)25(8-12-2-1-5-31-12)9-15(26)23-7-11-3-4-13-14(6-11)30-10-29-13/h1-6H,7-10,21H2,(H2,22,27)(H,23,26)