4-azanyl-N3-cyclohexyl-N5-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-butan-2-yl]-N5-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-butan-2-yl]-N5-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-cyclohexyl-N5-[(1R)-1-(cyclopentylcarbamoyl)propyl]-N5-(4-methoxyphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-N5-(4-methoxyphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-cyclohexyl-N'-[(1R)-1-(cyclopentylcarbamoyl)propyl]-N'-(4-methoxyphenyl)isothiazole-3,5-dicarboxamide Formula: C27H37N5O4S MolecularWeight: 527.67878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OC)C(=O)C3=C(C(=NS3)C(=O)NC4CCCCC4)N

Isomeric SMILES

CC[C@H](C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OC)C(=O)C3=C(C(=NS3)C(=O)NC4CCCCC4)N

InChI

InChI=1S/C27H37N5O4S/c1-3-21(25(33)29-17-11-7-8-12-17)32(19-13-15-20(36-2)16-14-19)27(35)24-22(28)23(31-37-24)26(34)30-18-9-5-4-6-10-18/h13-18,21H,3-12,28H2,1-2H3,(H,29,33)(H,30,34)/t21-/m1/s1