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

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-yl)-N5-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-amylamino)-2-keto-ethyl]-N'-(1,3-benzodioxol-5-yl)isothiazole-3,5-dicarboxamide Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CN(C1=CC2=C(C=C1)OCO2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCC(C)(C)NC(=O)CN(C1=CC2=C(C=C1)OCO2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C19H23N5O5S/c1-4-19(2,3)22-13(25)8-24(10-5-6-11-12(7-10)29-9-28-11)18(27)16-14(20)15(17(21)26)23-30-16/h5-7H,4,8-9,20H2,1-3H3,(H2,21,26)(H,22,25)