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

Systemtic Name: 4-azanyl-N5-(4-butoxyphenyl)-N5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(4-butoxyphenyl)-N5-[2-(tert-butylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-butoxyphenyl)-N5-[2-(tert-butylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(4-butoxyphenyl)-5-N-[2-(tert-butylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(4-butoxyphenyl)-N'-[2-(tert-butylamino)-2-keto-ethyl]isothiazole-3,5-dicarboxamide Formula: C21H29N5O4S MolecularWeight: 447.55106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S/c1-5-6-11-30-14-9-7-13(8-10-14)26(12-15(27)24-21(2,3)4)20(29)18-16(22)17(19(23)28)25-31-18/h7-10H,5-6,11-12,22H2,1-4H3,(H2,23,28)(H,24,27)