2,6-bis(methylsulfanyl)-N-[3-(1-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide

Systemtic Name: 2,6-bis(methylsulfanyl)-N-[3-(1-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide Openeye Name: N-[3-(1-ethyl-3-phenyl-propyl)-1,2,4-oxadiazol-5-yl]-2,6-bis(methylsulfanyl)benzenecarbothioamide CAS Name: 2,6-bis(methylthio)-N-[3-(1-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide IUPAC Name: 2,6-bis(methylsulfanyl)-N-[3-(1-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide Traditional Name: N-[3-(1-ethyl-3-phenyl-propyl)-1,2,4-oxadiazol-5-yl]-2,6-bis(methylthio)thiobenzamide Formula: C22H25N3OS3 MolecularWeight: 443.6484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=CC=C1)C2=NOC(=N2)NC(=S)C3=C(C=CC=C3SC)SC

Isomeric SMILES

CCC(CCC1=CC=CC=C1)C2=NOC(=N2)NC(=S)C3=C(C=CC=C3SC)SC

InChI

InChI=1S/C22H25N3OS3/c1-4-16(14-13-15-9-6-5-7-10-15)20-23-22(26-25-20)24-21(27)19-17(28-2)11-8-12-18(19)29-3/h5-12,16H,4,13-14H2,1-3H3,(H,23,24,25,27)