4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide

Systemtic Name: 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide Openeye Name: 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide CAS Name: 4-(2,3-dimethoxyphenyl)-1-[ethylamino(sulfanylidene)methyl]-N-[(4-fluorophenyl)methyl]-3-pyrrolidinecarboxamide IUPAC Name: 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide Traditional Name: 4-(2,3-dimethoxyphenyl)-1-(ethylthiocarbamoyl)-N-(4-fluorobenzyl)pyrrolidine-3-carboxamide Formula: C23H28FN3O3S MolecularWeight: 445.550123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O3S/c1-4-25-23(31)27-13-18(17-6-5-7-20(29-2)21(17)30-3)19(14-27)22(28)26-12-15-8-10-16(24)11-9-15/h5-11,18-19H,4,12-14H2,1-3H3,(H,25,31)(H,26,28)