N-[4-methyl-1-oxidanylidene-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]-1-(4-morpholin-4-ylbut-2-ynoylamino)cyclohexane-1-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]-1-(4-morpholin-4-ylbut-2-ynoylamino)cyclohexane-1-carboxamide Openeye Name: N-[1-(5-isopropylsulfanyl-1,3,4-oxadiazole-2-carbonyl)-3-methyl-butyl]-1-(4-morpholinobut-2-ynoylamino)cyclohexanecarboxamide CAS Name: N-[4-methyl-1-oxo-1-[5-(propan-2-ylthio)-1,3,4-oxadiazol-2-yl]pentan-2-yl]-1-[[4-(4-morpholinyl)-1-oxobut-2-ynyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]-1-(4-morpholin-4-ylbut-2-ynoylamino)cyclohexane-1-carboxamide Traditional Name: N-[1-[5-(isopropylthio)-1,3,4-oxadiazole-2-carbonyl]-3-methyl-butyl]-1-(4-morpholinobut-2-ynoylamino)cyclohexanecarboxamide Formula: C26H39N5O5S MolecularWeight: 533.68336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=NN=C(O1)SC(C)C)NC(=O)C2(CCCCC2)NC(=O)C#CCN3CCOCC3

Isomeric SMILES

CC(C)CC(C(=O)C1=NN=C(O1)SC(C)C)NC(=O)C2(CCCCC2)NC(=O)C#CCN3CCOCC3

InChI

InChI=1S/C26H39N5O5S/c1-18(2)17-20(22(33)23-29-30-25(36-23)37-19(3)4)27-24(34)26(10-6-5-7-11-26)28-21(32)9-8-12-31-13-15-35-16-14-31/h18-20H,5-7,10-17H2,1-4H3,(H,27,34)(H,28,32)