5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-3-sulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: 5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-3-sulfanyl-pyrrolidine-2-carboxamide Openeye Name: 5-oxo-1-[(4-phenoxyphenyl)methyl]-N-(4-pyridylmethyl)-3-sulfanyl-pyrrolidine-2-carboxamide CAS Name: 3-mercapto-5-oxo-1-[(4-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 5-oxo-1-[(4-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-3-sulfanylpyrrolidine-2-carboxamide Traditional Name: 5-keto-3-mercapto-1-(4-phenoxybenzyl)-N-(4-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NCC4=CC=NC=C4)S

Isomeric SMILES

C1C(C(N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NCC4=CC=NC=C4)S

InChI

InChI=1S/C24H23N3O3S/c28-22-14-21(31)23(24(29)26-15-17-10-12-25-13-11-17)27(22)16-18-6-8-20(9-7-18)30-19-4-2-1-3-5-19/h1-13,21,23,31H,14-16H2,(H,26,29)