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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O3S/c1-14-7-8-15(2)18(13-14)31(25(34)22-19(26)20(23(27)32)30-35-22)21(16-9-11-28-12-10-16)24(33)29-17-5-3-4-6-17/h7-13,17,21H,3-6,26H2,1-2H3,(H2,27,32)(H,29,33)