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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]acetamide Formula: C18H25BrN2O2S MolecularWeight: 413.3723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(C(C)C)C(=O)N2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N[C@@H](C(C)C)C(=O)N2CCCC2

InChI

InChI=1S/C18H25BrN2O2S/c1-12(2)17(18(23)21-8-4-5-9-21)20-16(22)11-24-15-7-6-14(19)10-13(15)3/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,20,22)/t17-/m0/s1