N-[2-(azetidin-1-yl)-3,3-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide

Systemtic Name: N-[2-(azetidin-1-yl)-3,3-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide Openeye Name: N-[2-(azetidin-1-yl)-3,3-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)thioacetamide CAS Name: N-[2-(1-azetidinyl)-3,3-bis(methylthio)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide IUPAC Name: N-[2-(azetidin-1-yl)-3,3-bis(methylsulfanyl)cyclohexyl]-N-methyl-2-(4-phenylphenyl)ethanethioamide Traditional Name: N-[2-(azetidin-1-yl)-3,3-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(C1CCCC(C1N2CCC2)(SC)SC)C(=S)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C1CCCC(C1N2CCC2)(SC)SC)C(=S)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

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