4-azanyl-N5-(4-butoxyphenyl)-N5-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(4-butoxyphenyl)-N5-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(4-butoxyphenyl)-5-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(4-butoxyphenyl)-N'-[(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]isothiazole-3,5-dicarboxamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C(C)C(=O)NC(C)(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N([C@H](C)C(=O)NC(C)(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C22H31N5O4S/c1-6-7-12-31-15-10-8-14(9-11-15)27(13(2)20(29)25-22(3,4)5)21(30)18-16(23)17(19(24)28)26-32-18/h8-11,13H,6-7,12,23H2,1-5H3,(H2,24,28)(H,25,29)/t13-/m1/s1