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

Systemtic Name: 4-azanyl-N5-(3-hydroxyphenyl)-N5-[1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(3-hydroxyphenyl)-N5-[1-(isopentylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(3-hydroxyphenyl)-N5-[1-(3-methylbutylamino)-1-oxopentan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(3-hydroxyphenyl)-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(3-hydroxyphenyl)-N'-[1-(isoamylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC(C)C)N(C1=CC(=CC=C1)O)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC(C(=O)NCCC(C)C)N(C1=CC(=CC=C1)O)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C21H29N5O4S/c1-4-6-15(20(29)24-10-9-12(2)3)26(13-7-5-8-14(27)11-13)21(30)18-16(22)17(19(23)28)25-31-18/h5,7-8,11-12,15,27H,4,6,9-10,22H2,1-3H3,(H2,23,28)(H,24,29)