2-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-N-phenyl-1,3-thiazolidine-3-carbothioamide

Systemtic Name: 2-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-N-phenyl-1,3-thiazolidine-3-carbothioamide Openeye Name: 2-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-N-phenyl-thiazolidine-3-carbothioamide CAS Name: 2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-phenyl-3-thiazolidinecarbothioamide IUPAC Name: 2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-phenyl-1,3-thiazolidine-3-carbothioamide Traditional Name: 2-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-N-phenyl-thiazolidine-3-carbothioamide Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C2N(CCS2)C(=S)NC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C2N(CCS2)C(=S)NC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2OS2/c1-21(2,24)13-12-16-8-10-17(11-9-16)19-23(14-15-26-19)20(25)22-18-6-4-3-5-7-18/h3-11,19,24H,14-15H2,1-2H3,(H,22,25)