N-[3-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[3-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[1-(4-bromoanilino)-1-oxopropan-2-yl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[1-(4-bromoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[[2-(4-bromoanilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C21H25BrN2O2S/c1-14(20(26)24-16-10-8-15(22)9-11-16)27-18-7-5-6-17(12-18)23-19(25)13-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,23,25)(H,24,26)