N-(3-chloranyl-2-methyl-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23ClN2O2S/c1-13-15(21)6-4-7-16(13)22-20(26)23-11-5-8-17(23)14-9-10-18(24-2)19(12-14)25-3/h4,6-7,9-10,12,17H,5,8,11H2,1-3H3,(H,22,26)