4-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: 4-(2,5-dimethoxyphenyl)-1-(isopropylcarbamothioyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide CAS Name: 4-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: 4-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,5-dimethoxyphenyl)-1-(isopropylthiocarbamoyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)NCCCOC)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)NCCCOC)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C21H33N3O4S/c1-14(2)23-21(29)24-12-17(16-11-15(27-4)7-8-19(16)28-5)18(13-24)20(25)22-9-6-10-26-3/h7-8,11,14,17-18H,6,9-10,12-13H2,1-5H3,(H,22,25)(H,23,29)