N-[4-(4-bromophenyl)sulfanylphenyl]-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-[2-furanyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-(2-furoyl)isonipecotamide Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H21BrN2O3S/c24-17-3-7-19(8-4-17)30-20-9-5-18(6-10-20)25-22(27)16-11-13-26(14-12-16)23(28)21-2-1-15-29-21/h1-10,15-16H,11-14H2,(H,25,27)