N-(2-benzamidoethyl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-28-18-9-5-8-17(13-18)24-14-16(12-19(24)25)21(27)23-11-10-22-20(26)15-6-3-2-4-7-15/h2-9,13,16H,10-12,14H2,1H3,(H,22,26)(H,23,27)