N-[2-(azetidin-1-yl)-5,5-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide

Systemtic Name: N-[2-(azetidin-1-yl)-5,5-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide Openeye Name: N-[2-(azetidin-1-yl)-5,5-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)thioacetamide CAS Name: N-[2-(1-azetidinyl)-5,5-bis(methylthio)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide IUPAC Name: N-[2-(azetidin-1-yl)-5,5-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide Traditional Name: N-[2-(azetidin-1-yl)-5,5-bis(methylthio)cyclohexyl]-N-methyl-2-(4-phenylphenyl)thioacetamide Formula: C26H34N2S3 MolecularWeight: 470.75656

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC(CCC1N2CCC2)(SC)SC)C(=S)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C1CC(CCC1N2CCC2)(SC)SC)C(=S)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H34N2S3/c1-27(24-19-26(30-2,31-3)15-14-23(24)28-16-7-17-28)25(29)18-20-10-12-22(13-11-20)21-8-5-4-6-9-21/h4-6,8-13,23-24H,7,14-19H2,1-3H3