4-azanyl-N5-(2-hydroxyethyl)-N5-[1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-hydroxyethyl)-N5-[1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2-hydroxyethyl)-N5-[1-(4-hydroxyphenyl)-2-(isopentylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-hydroxyethyl)-N5-[1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2-hydroxyethyl)-5-N-[1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2-hydroxyethyl)-N'-[1-(4-hydroxyphenyl)-2-(isoamylamino)-2-keto-ethyl]isothiazole-3,5-dicarboxamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C1=CC=C(C=C1)O)N(CCO)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CC(C)CCNC(=O)C(C1=CC=C(C=C1)O)N(CCO)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C20H27N5O5S/c1-11(2)7-8-23-19(29)16(12-3-5-13(27)6-4-12)25(9-10-26)20(30)17-14(21)15(18(22)28)24-31-17/h3-6,11,16,26-27H,7-10,21H2,1-2H3,(H2,22,28)(H,23,29)