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

Systemtic Name: 4-azanyl-N5-[2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N5-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxo-1-(4-pyridyl)ethyl]-N5-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N5-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclopentylamino)-2-keto-1-(4-pyridyl)ethyl]-N'-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

InChI

InChI=1S/C25H28N6O3S/c1-14-6-5-9-18(15(14)2)31(25(34)22-19(26)20(23(27)32)30-35-22)21(16-10-12-28-13-11-16)24(33)29-17-7-3-4-8-17/h5-6,9-13,17,21H,3-4,7-8,26H2,1-2H3,(H2,27,32)(H,29,33)