2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]acetamide Formula: C19H27BrN2O2S MolecularWeight: 427.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C(C)C)C(=O)N2CCCC2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N[C@@H](C(C)C)C(=O)N2CCCC2

InChI

InChI=1S/C19H27BrN2O2S/c1-12(2)18(19(24)22-7-5-6-8-22)21-17(23)11-25-16-10-13(3)15(20)9-14(16)4/h9-10,12,18H,5-8,11H2,1-4H3,(H,21,23)/t18-/m0/s1