N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-phenylsulfanyl-butanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(phenylthio)butanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-phenylsulfanylbutanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-(phenylthio)butyramide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C19H21BrN2O2S/c1-14-12-15(20)9-10-17(14)22-19(24)13-21-18(23)8-5-11-25-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,23)(H,22,24)