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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3S/c1-13-9-15(22)3-8-18(13)24-19(26)11-23-21(28)14-10-20(27)25(12-14)16-4-6-17(29-2)7-5-16/h3-9,14H,10-12H2,1-2H3,(H,23,28)(H,24,26)