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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-1,3-thiazolidine-3-carbothioamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]thiazolidine-3-carbothioamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3-thiazolidinecarbothioamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-thiazolidine-3-carbothioamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]thiazolidine-3-carbothioamide Formula: C22H23ClN2O2S2 MolecularWeight: 447.01322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2S2/c1-22(2,26)11-10-15-4-6-16(7-5-15)20-25(12-13-29-20)21(28)24-17-8-9-19(27-3)18(23)14-17/h4-9,14,20,26H,12-13H2,1-3H3,(H,24,28)