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

Systemtic Name: 4-(2,5-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 4-(2,5-dimethoxyphenyl)-1-(isopropylcarbamothioyl)-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 4-(2,5-dimethoxyphenyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-N-(3-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 4-(2,5-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,5-dimethoxyphenyl)-1-(isopropylthiocarbamoyl)-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2=CN=CC=C2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2=CN=CC=C2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H30N4O3S/c1-15(2)26-23(31)27-13-19(18-10-17(29-3)7-8-21(18)30-4)20(14-27)22(28)25-12-16-6-5-9-24-11-16/h5-11,15,19-20H,12-14H2,1-4H3,(H,25,28)(H,26,31)