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

Systemtic Name: 4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: 4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(isopropylcarbamothioyl)pyrrolidine-3-carboxamide CAS Name: 4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: 4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,3-dimethoxyphenyl)-N-(4-fluorobenzyl)-1-(isopropylthiocarbamoyl)pyrrolidine-3-carboxamide Formula: C24H30FN3O3S MolecularWeight: 459.576703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FN3O3S/c1-15(2)27-24(32)28-13-19(18-6-5-7-21(30-3)22(18)31-4)20(14-28)23(29)26-12-16-8-10-17(25)11-9-16/h5-11,15,19-20H,12-14H2,1-4H3,(H,26,29)(H,27,32)