4-azanyl-N5-[1-(tert-butylamino)-1-oxidanylidene-pentan-2-yl]-N5-(3-morpholin-4-ylpropyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[1-(tert-butylamino)-1-oxidanylidene-pentan-2-yl]-N5-(3-morpholin-4-ylpropyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(tert-butylcarbamoyl)butyl]-N5-(3-morpholinopropyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-(tert-butylamino)-1-oxopentan-2-yl]-N5-[3-(4-morpholinyl)propyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(3-morpholin-4-ylpropyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(tert-butylcarbamoyl)butyl]-N'-(3-morpholinopropyl)isothiazole-3,5-dicarboxamide Formula: C21H36N6O4S MolecularWeight: 468.61334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C)(C)C)N(CCCN1CCOCC1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC(C(=O)NC(C)(C)C)N(CCCN1CCOCC1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C21H36N6O4S/c1-5-7-14(19(29)24-21(2,3)4)27(9-6-8-26-10-12-31-13-11-26)20(30)17-15(22)16(18(23)28)25-32-17/h14H,5-13,22H2,1-4H3,(H2,23,28)(H,24,29)