N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-5-[(3S)-dithiolan-3-yl]pentanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-[(3S)-3-dithiolanyl]pentanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-[(3S)-dithiolan-3-yl]pentanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-[(3S)-dithiolan-3-yl]valeramide Formula: C17H23BrN2O2S2 MolecularWeight: 431.41072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCCC2CCSS2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C17H23BrN2O2S2/c1-12-10-13(18)6-7-15(12)20-17(22)11-19-16(21)5-3-2-4-14-8-9-23-24-14/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,19,21)(H,20,22)/t14-/m0/s1