4-(3-fluorophenyl)-N-(3-methylbutyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide

Systemtic Name: 4-(3-fluorophenyl)-N-(3-methylbutyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: 4-(3-fluorophenyl)-N-isopentyl-1-(isopropylcarbamothioyl)pyrrolidine-3-carboxamide CAS Name: 4-(3-fluorophenyl)-N-(3-methylbutyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: 4-(3-fluorophenyl)-N-(3-methylbutyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: 4-(3-fluorophenyl)-N-isoamyl-1-(isopropylthiocarbamoyl)pyrrolidine-3-carboxamide Formula: C20H30FN3OS MolecularWeight: 379.535103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CN(CC1C2=CC(=CC=C2)F)C(=S)NC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1CN(CC1C2=CC(=CC=C2)F)C(=S)NC(C)C

InChI

InChI=1S/C20H30FN3OS/c1-13(2)8-9-22-19(25)18-12-24(20(26)23-14(3)4)11-17(18)15-6-5-7-16(21)10-15/h5-7,10,13-14,17-18H,8-9,11-12H2,1-4H3,(H,22,25)(H,23,26)