3-(2,5-dimethoxyphenyl)-N-ethyl-4-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carbothioamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carbothioamide Openeye Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide CAS Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide Traditional Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)N2CCCC2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)N2CCCC2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H29N3O3S/c1-4-21-20(27)23-12-16(15-11-14(25-2)7-8-18(15)26-3)17(13-23)19(24)22-9-5-6-10-22/h7-8,11,16-17H,4-6,9-10,12-13H2,1-3H3,(H,21,27)