2-[[5,5-diethyl-2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5,5-diethyl-2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoic acid Openeye Name: 2-[5,5-diethyl-2-(2-isopropylphenyl)imino-1,3-thiazinane-3-carbothioyl]sulfanylacetic acid CAS Name: 2-[[[5,5-diethyl-2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[5,5-diethyl-2-(2-propan-2-ylphenyl)imino-1,3-thiazinane-3-carbothioyl]sulfanylacetic acid Traditional Name: 2-[(5,5-diethyl-2-o-cumenylimino-1,3-thiazinane-3-carbothioyl)thio]acetic acid Formula: C20H28N2O2S3 MolecularWeight: 424.64352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C(=NC2=CC=CC=C2C(C)C)SC1)C(=S)SCC(=O)O)CC

Isomeric SMILES

CCC1(CN(C(=NC2=CC=CC=C2C(C)C)SC1)C(=S)SCC(=O)O)CC

InChI

InChI=1S/C20H28N2O2S3/c1-5-20(6-2)12-22(19(25)26-11-17(23)24)18(27-13-20)21-16-10-8-7-9-15(16)14(3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,23,24)