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

Systemtic Name: 4-azanyl-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N5-cyclohexyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N5-cyclohexyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N5-cyclohexylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-N-cyclohexyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-cyclohexyl-N'-[2-keto-2-(piperonylamino)ethyl]isothiazole-3,5-dicarboxamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C21H25N5O5S/c22-17-18(20(23)28)25-32-19(17)21(29)26(13-4-2-1-3-5-13)10-16(27)24-9-12-6-7-14-15(8-12)31-11-30-14/h6-8,13H,1-5,9-11,22H2,(H2,23,28)(H,24,27)