1-[2-(2-azanyl-4-bromanyl-phenyl)sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-(2-azanyl-4-bromanyl-phenyl)sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-(2-amino-4-bromo-phenyl)sulfanylacetyl]piperidine-3-carboxamide CAS Name: 1-[2-[(2-amino-4-bromophenyl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(2-amino-4-bromophenyl)sulfanylacetyl]piperidine-3-carboxamide Traditional Name: 1-[2-[(2-amino-4-bromo-phenyl)thio]acetyl]nipecotamide Formula: C14H18BrN3O2S MolecularWeight: 372.28062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=C(C=C(C=C2)Br)N)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=C(C=C(C=C2)Br)N)C(=O)N

InChI

InChI=1S/C14H18BrN3O2S/c15-10-3-4-12(11(16)6-10)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8,16H2,(H2,17,20)