4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

Systemtic Name: 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide Openeye Name: 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-isobutyl-pyrrolidine-3-carboxamide CAS Name: 4-(2,3-dimethoxyphenyl)-1-[ethylamino(sulfanylidene)methyl]-N-(2-methylpropyl)-3-pyrrolidinecarboxamide IUPAC Name: 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,3-dimethoxyphenyl)-1-(ethylthiocarbamoyl)-N-isobutyl-pyrrolidine-3-carboxamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)NCC(C)C)C2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)NCC(C)C)C2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C20H31N3O3S/c1-6-21-20(27)23-11-15(16(12-23)19(24)22-10-13(2)3)14-8-7-9-17(25-4)18(14)26-5/h7-9,13,15-16H,6,10-12H2,1-5H3,(H,21,27)(H,22,24)