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

Systemtic Name: 4-azanyl-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N5-cyclopentyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N5-cyclopentyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N5-cyclopentylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-N-cyclopentyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-cyclopentyl-N'-[2-keto-2-(piperonylamino)ethyl]isothiazole-3,5-dicarboxamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C20H23N5O5S/c21-16-17(19(22)27)24-31-18(16)20(28)25(12-3-1-2-4-12)9-15(26)23-8-11-5-6-13-14(7-11)30-10-29-13/h5-7,12H,1-4,8-10,21H2,(H2,22,27)(H,23,26)