4-azanyl-N3-cyclohexyl-N5-(2,5-dimethylphenyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-pyridin-4-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-(2,5-dimethylphenyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-pyridin-4-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-cyclohexyl-N5-(2,5-dimethylphenyl)-N5-[2-oxo-1-(4-pyridyl)-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-(2,5-dimethylphenyl)-N5-[2-oxo-2-(2-oxolanylmethylamino)-1-pyridin-4-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-cyclohexyl-5-N-(2,5-dimethylphenyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-cyclohexyl-N'-(2,5-dimethylphenyl)-N'-[2-keto-1-(4-pyridyl)-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide Formula: C31H38N6O4S MolecularWeight: 590.73622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C2=CC=NC=C2)C(=O)NCC3CCCO3)C(=O)C4=C(C(=NS4)C(=O)NC5CCCCC5)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C2=CC=NC=C2)C(=O)NCC3CCCO3)C(=O)C4=C(C(=NS4)C(=O)NC5CCCCC5)N

InChI

InChI=1S/C31H38N6O4S/c1-19-10-11-20(2)24(17-19)37(27(21-12-14-33-15-13-21)30(39)34-18-23-9-6-16-41-23)31(40)28-25(32)26(36-42-28)29(38)35-22-7-4-3-5-8-22/h10-15,17,22-23,27H,3-9,16,18,32H2,1-2H3,(H,34,39)(H,35,38)