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

Systemtic Name: 4-azanyl-N5-[1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-N5-(3-morpholin-4-ylpropyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(isopentylcarbamoyl)butyl]-N5-(3-morpholinopropyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-N5-[3-(4-morpholinyl)propyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(3-morpholin-4-ylpropyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(isoamylcarbamoyl)butyl]-N'-(3-morpholinopropyl)isothiazole-3,5-dicarboxamide Formula: C22H38N6O4S MolecularWeight: 482.63992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N6O4S/c1-4-6-16(21(30)25-8-7-15(2)3)28(10-5-9-27-11-13-32-14-12-27)22(31)19-17(23)18(20(24)29)26-33-19/h15-16H,4-14,23H2,1-3H3,(H2,24,29)(H,25,30)