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

Systemtic Name: 4-azanyl-N5-[2-(3-methylbutylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N5-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(isopentylamino)-2-oxo-1-(4-pyridyl)ethyl]-N5-(m-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(3-methylbutylamino)-2-oxo-1-pyridin-4-ylethyl]-N5-(3-methylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(3-methylbutylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(isoamylamino)-2-keto-1-(4-pyridyl)ethyl]-N'-(m-tolyl)isothiazole-3,5-dicarboxamide Formula: C24H28N6O3S MolecularWeight: 480.58252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NCCC(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC1=CC(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NCCC(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C24H28N6O3S/c1-14(2)7-12-28-23(32)20(16-8-10-27-11-9-16)30(17-6-4-5-15(3)13-17)24(33)21-18(25)19(22(26)31)29-34-21/h4-6,8-11,13-14,20H,7,12,25H2,1-3H3,(H2,26,31)(H,28,32)