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

Systemtic Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-piperidin-1-ylcarbonyl-pyrrolidine-1-carbothioamide Openeye Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-(piperidine-1-carbonyl)pyrrolidine-1-carbothioamide CAS Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-[oxo(1-piperidinyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-(piperidine-1-carbonyl)pyrrolidine-1-carbothioamide Traditional Name: 3-(2,5-dimethoxyphenyl)-N-ethyl-4-(piperidine-1-carbonyl)pyrrolidine-1-carbothioamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)N2CCCCC2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)N2CCCCC2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H31N3O3S/c1-4-22-21(28)24-13-17(16-12-15(26-2)8-9-19(16)27-3)18(14-24)20(25)23-10-6-5-7-11-23/h8-9,12,17-18H,4-7,10-11,13-14H2,1-3H3,(H,22,28)