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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-(4-bromo-3-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-(4-bromo-3-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-(4-bromo-3-methyl-phenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3SCC(=O)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3SCC(=O)N)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-12-8-14(6-7-15(12)21)24-10-13(9-19(24)26)20(27)23-16-4-2-3-5-17(16)28-11-18(22)25/h2-8,13H,9-11H2,1H3,(H2,22,25)(H,23,27)