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

Systemtic Name: 4-azanyl-N5-(3,4-dimethylphenyl)-N5-[2-(3-methylbutylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(3,4-dimethylphenyl)-N5-[2-(isopentylamino)-2-oxo-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(3,4-dimethylphenyl)-N5-[2-(3-methylbutylamino)-2-oxo-1-thiophen-2-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(3,4-dimethylphenyl)-5-N-[2-(3-methylbutylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(3,4-dimethylphenyl)-N'-[2-(isoamylamino)-2-keto-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O3S2/c1-13(2)9-10-27-23(31)20(17-6-5-11-33-17)29(16-8-7-14(3)15(4)12-16)24(32)21-18(25)19(22(26)30)28-34-21/h5-8,11-13,20H,9-10,25H2,1-4H3,(H2,26,30)(H,27,31)