1-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]acetyl]isonipecotamide Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4O2S/c19-14-3-1-12(2-4-14)15-5-8-21-18(22-15)26-11-16(24)23-9-6-13(7-10-23)17(20)25/h1-5,8,13H,6-7,9-11H2,(H2,20,25)