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

Systemtic Name: 4-azanyl-N5-[1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-N5-(3-oxidanylpropyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(3-hydroxypropyl)-N5-[1-(isopentylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(3-hydroxypropyl)-N5-[1-(3-methylbutylamino)-1-oxopentan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(3-hydroxypropyl)-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(3-hydroxypropyl)-N'-[1-(isoamylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide Formula: C18H31N5O4S MolecularWeight: 413.53484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC(C)C)N(CCCO)C(=O)C1=C(C(=NS1)C(=O)N)N

Isomeric SMILES

CCCC(C(=O)NCCC(C)C)N(CCCO)C(=O)C1=C(C(=NS1)C(=O)N)N

InChI

InChI=1S/C18H31N5O4S/c1-4-6-12(17(26)21-8-7-11(2)3)23(9-5-10-24)18(27)15-13(19)14(16(20)25)22-28-15/h11-12,24H,4-10,19H2,1-3H3,(H2,20,25)(H,21,26)