4-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide CAS Name: 4-butyl-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-2-3-7-15-10-12-17(13-11-15)19(26)22-20-23-24-21(28-20)27-14-18(25)16-8-5-4-6-9-16/h4-6,8-9,15,17H,2-3,7,10-14H2,1H3,(H,22,23,26)