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

Systemtic Name: 1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide CAS Name: 1-[(cyclopropylamino)-sulfanylidenemethyl]-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide Traditional Name: 1-(cyclopropylthiocarbamoyl)-4-(2,3-dimethoxyphenyl)-N-(4-fluorobenzyl)pyrrolidine-3-carboxamide Formula: C24H28FN3O3S MolecularWeight: 457.560823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CN(CC2C(=O)NCC3=CC=C(C=C3)F)C(=S)NC4CC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2CN(CC2C(=O)NCC3=CC=C(C=C3)F)C(=S)NC4CC4

InChI

InChI=1S/C24H28FN3O3S/c1-30-21-5-3-4-18(22(21)31-2)19-13-28(24(32)27-17-10-11-17)14-20(19)23(29)26-12-15-6-8-16(25)9-7-15/h3-9,17,19-20H,10-14H2,1-2H3,(H,26,29)(H,27,32)