1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide Openeye Name: 1-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-N-thiazol-2-yl-piperidine-3-carboxamide CAS Name: 1-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-N-(2-thiazolyl)-3-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-N-thiazol-2-yl-nipecotamide Formula: C19H22BrN3O2S2 MolecularWeight: 468.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCC(C2)C(=O)NC3=NC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCC(C2)C(=O)NC3=NC=CS3

InChI

InChI=1S/C19H22BrN3O2S2/c1-12-9-16(13(2)8-15(12)20)27-11-17(24)23-6-3-4-14(10-23)18(25)22-19-21-5-7-26-19/h5,7-9,14H,3-4,6,10-11H2,1-2H3,(H,21,22,25)