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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]thiazolidine-3-carbothioamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-3-thiazolidinecarbothioamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]thiazolidine-3-carbothioamide Formula: C20H21ClN2O2S3 MolecularWeight: 453.04094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C2N(CCS2)C(=S)NC3=CC(=C(C=C3)OC)Cl)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C2N(CCS2)C(=S)NC3=CC(=C(C=C3)OC)Cl)O

InChI

InChI=1S/C20H21ClN2O2S3/c1-20(2,24)9-8-14-5-7-17(28-14)18-23(10-11-27-18)19(26)22-13-4-6-16(25-3)15(21)12-13/h4-7,12,18,24H,10-11H2,1-3H3,(H,22,26)