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

Systemtic Name: 4-azanyl-N5-[2-(3-methylbutylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(isopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(m-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(3-methylbutylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(3-methylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(3-methylbutylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(isoamylamino)-2-keto-1-(2-thienyl)ethyl]-N'-(m-tolyl)isothiazole-3,5-dicarboxamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(C2=CC=CS2)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=CS2)C(=O)NCCC(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C23H27N5O3S2/c1-13(2)9-10-26-22(30)19(16-8-5-11-32-16)28(15-7-4-6-14(3)12-15)23(31)20-17(24)18(21(25)29)27-33-20/h4-8,11-13,19H,9-10,24H2,1-3H3,(H2,25,29)(H,26,30)