(3R)-1-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl]nipecotamide Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NCCSC2=CC=C(C=C2)Br)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)CC(=O)NCCSC2=CC=C(C=C2)Br)C(=O)N

InChI

InChI=1S/C16H22BrN3O2S/c17-13-3-5-14(6-4-13)23-9-7-19-15(21)11-20-8-1-2-12(10-20)16(18)22/h3-6,12H,1-2,7-11H2,(H2,18,22)(H,19,21)/t12-/m1/s1