N-(4-acetamido-3-methyl-phenyl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(4-acetamido-3-methylphenyl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-5-keto-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(=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC)NC(=O)C

InChI

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