4-(3-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide

Systemtic Name: 4-(3-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide Openeye Name: 4-(3-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide CAS Name: 4-(3-fluorophenyl)-1-[(4-methoxyanilino)-sulfanylidenemethyl]-N-(2-methoxyethyl)-3-pyrrolidinecarboxamide IUPAC Name: 4-(3-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide Traditional Name: 4-(3-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)thiocarbamoyl]pyrrolidine-3-carboxamide Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1CN(CC1C2=CC(=CC=C2)F)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

COCCNC(=O)C1CN(CC1C2=CC(=CC=C2)F)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26FN3O3S/c1-28-11-10-24-21(27)20-14-26(13-19(20)15-4-3-5-16(23)12-15)22(30)25-17-6-8-18(29-2)9-7-17/h3-9,12,19-20H,10-11,13-14H2,1-2H3,(H,24,27)(H,25,30)