4-(2,5-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 4-(2,5-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 4-(2,5-dimethoxyphenyl)-1-[ethylamino(sulfanylidene)methyl]-N-(3-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 4-(2,5-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,5-dimethoxyphenyl)-1-(ethylthiocarbamoyl)-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CN=CC=C2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CN=CC=C2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H28N4O3S/c1-4-24-22(30)26-13-18(17-10-16(28-2)7-8-20(17)29-3)19(14-26)21(27)25-12-15-6-5-9-23-11-15/h5-11,18-19H,4,12-14H2,1-3H3,(H,24,30)(H,25,27)