1-butyl-2-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-butyl-2-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-butyl-2-(4-methoxyphenyl)-N-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-2-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-2-(4-methoxyphenyl)-N-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=O)NC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(C(CC1=O)C(=O)NC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O3S/c1-4-5-14-25-21(26)15-20(22(25)16-6-10-18(28-2)11-7-16)23(27)24-17-8-12-19(29-3)13-9-17/h6-13,20,22H,4-5,14-15H2,1-3H3,(H,24,27)