2-acetamido-N-[4-(4-bromophenyl)sulfanylphenyl]-3-methyl-butanamide

Systemtic Name: 2-acetamido-N-[4-(4-bromophenyl)sulfanylphenyl]-3-methyl-butanamide Openeye Name: 2-acetamido-N-[4-(4-bromophenyl)sulfanylphenyl]-3-methyl-butanamide CAS Name: 2-acetamido-N-[4-[(4-bromophenyl)thio]phenyl]-3-methylbutanamide IUPAC Name: 2-acetamido-N-[4-(4-bromophenyl)sulfanylphenyl]-3-methylbutanamide Traditional Name: 2-acetamido-N-[4-[(4-bromophenyl)thio]phenyl]-3-methyl-butyramide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O2S/c1-12(2)18(21-13(3)23)19(24)22-15-6-10-17(11-7-15)25-16-8-4-14(20)5-9-16/h4-12,18H,1-3H3,(H,21,23)(H,22,24)