2-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide

Systemtic Name: 2-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide Openeye Name: 2-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]-N-(p-tolyl)thiazolidine-3-carbothioamide CAS Name: 2-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-N-(4-methylphenyl)-3-thiazolidinecarbothioamide IUPAC Name: 2-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide Traditional Name: 2-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]-N-(p-tolyl)thiazolidine-3-carbothioamide Formula: C20H22N2OS3 MolecularWeight: 402.59648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(S3)C#CC(C)(C)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(S3)C#CC(C)(C)O

InChI

InChI=1S/C20H22N2OS3/c1-14-4-6-15(7-5-14)21-19(24)22-12-13-25-18(22)17-9-8-16(26-17)10-11-20(2,3)23/h4-9,18,23H,12-13H2,1-3H3,(H,21,24)