1-(ethylcarbamothioyl)-4-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(ethylcarbamothioyl)-4-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-(ethylcarbamothioyl)-4-(2-methoxyphenyl)-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 1-[ethylamino(sulfanylidene)methyl]-4-(2-methoxyphenyl)-N-(3-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(ethylcarbamothioyl)-4-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 1-(ethylthiocarbamoyl)-4-(2-methoxyphenyl)-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CN=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CN=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H26N4O2S/c1-3-23-21(28)25-13-17(16-8-4-5-9-19(16)27-2)18(14-25)20(26)24-12-15-7-6-10-22-11-15/h4-11,17-18H,3,12-14H2,1-2H3,(H,23,28)(H,24,26)