2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carbothioamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carbothioamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(methylthio)phenyl]-1-pyrrolidinecarbothioamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carbothioamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[3-(methylthio)phenyl]pyrrolidine-1-carbothioamide Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C20H24N2O2S2/c1-23-18-10-9-14(12-19(18)24-2)17-8-5-11-22(17)20(25)21-15-6-4-7-16(13-15)26-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3,(H,21,25)