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

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-yl)-N5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(tert-butylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(tert-butylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[2-(tert-butylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(1,3-benzodioxol-5-yl)-N'-[2-(tert-butylamino)-2-keto-ethyl]isothiazole-3,5-dicarboxamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5S/c1-18(2,3)21-12(24)7-23(9-4-5-10-11(6-9)28-8-27-10)17(26)15-13(19)14(16(20)25)22-29-15/h4-6H,7-8,19H2,1-3H3,(H2,20,25)(H,21,24)