N-[4-(4-bromophenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-pivaloyl-isonipecotamide Formula: C23H27BrN2O2S MolecularWeight: 475.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H27BrN2O2S/c1-23(2,3)22(28)26-14-12-16(13-15-26)21(27)25-18-6-10-20(11-7-18)29-19-8-4-17(24)5-9-19/h4-11,16H,12-15H2,1-3H3,(H,25,27)