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

Systemtic Name: 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: N-isopentyl-1-(isopropylcarbamothioyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide CAS Name: 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: N-isoamyl-1-(isopropylthiocarbamoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2S/c1-14(2)10-11-22-20(25)19-13-24(21(27)23-15(3)4)12-18(19)16-6-8-17(26-5)9-7-16/h6-9,14-15,18-19H,10-13H2,1-5H3,(H,22,25)(H,23,27)