4-azanyl-N5-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-N3-cyclopentyl-N5-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-N3-cyclopentyl-N5-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-N3-cyclopentyl-N5-(4-ethoxyphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N3-cyclopentyl-N5-(4-ethoxyphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-3-N-cyclopentyl-5-N-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-N-cyclopentyl-N'-p-phenetyl-isothiazole-3,5-dicarboxamide Formula: C27H37N5O4S MolecularWeight: 527.67878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)NC4CCCC4)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N([C@H](C)C(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)NC4CCCC4)N

InChI

InChI=1S/C27H37N5O4S/c1-3-36-21-15-13-20(14-16-21)32(17(2)25(33)29-18-9-5-4-6-10-18)27(35)24-22(28)23(31-37-24)26(34)30-19-11-7-8-12-19/h13-19H,3-12,28H2,1-2H3,(H,29,33)(H,30,34)/t17-/m1/s1