N-[2-(dimethylaminomethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(dimethylaminomethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(dimethylaminomethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(dimethylaminomethyl)phenyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(dimethylaminomethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(dimethylaminomethyl)phenyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C)CC1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25N3O2S/c1-23(2)13-15-6-4-5-7-19(15)22-21(26)16-12-20(25)24(14-16)17-8-10-18(27-3)11-9-17/h4-11,16H,12-14H2,1-3H3,(H,22,26)