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

Systemtic Name: 4-(3-fluorophenyl)-1-[(4-methoxyphenyl)carbamothioyl]-N-propyl-pyrrolidine-3-carboxamide Openeye Name: 4-(3-fluorophenyl)-1-[(4-methoxyphenyl)carbamothioyl]-N-propyl-pyrrolidine-3-carboxamide CAS Name: 4-(3-fluorophenyl)-1-[(4-methoxyanilino)-sulfanylidenemethyl]-N-propyl-3-pyrrolidinecarboxamide IUPAC Name: 4-(3-fluorophenyl)-1-[(4-methoxyphenyl)carbamothioyl]-N-propylpyrrolidine-3-carboxamide Traditional Name: 4-(3-fluorophenyl)-1-[(4-methoxyphenyl)thiocarbamoyl]-N-propyl-pyrrolidine-3-carboxamide Formula: C22H26FN3O2S MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O2S/c1-3-11-24-21(27)20-14-26(13-19(20)15-5-4-6-16(23)12-15)22(29)25-17-7-9-18(28-2)10-8-17/h4-10,12,19-20H,3,11,13-14H2,1-2H3,(H,24,27)(H,25,29)