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

Systemtic Name: N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-13-17(21(27)22-2)5-4-6-18(13)23-20(26)14-11-19(25)24(12-14)15-7-9-16(28-3)10-8-15/h4-10,14H,11-12H2,1-3H3,(H,22,27)(H,23,26)