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

Systemtic Name: 4-azanyl-N5-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-N5-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(isopentylamino)-2-oxo-ethyl]-N5-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(3-methylbutylamino)-2-oxoethyl]-N5-(3-pyridinylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(3-methylbutylamino)-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(isoamylamino)-2-keto-ethyl]-N'-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN(CC1=CN=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CC(C)CCNC(=O)CN(CC1=CN=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C18H24N6O3S/c1-11(2)5-7-22-13(25)10-24(9-12-4-3-6-21-8-12)18(27)16-14(19)15(17(20)26)23-28-16/h3-4,6,8,11H,5,7,9-10,19H2,1-2H3,(H2,20,26)(H,22,25)