N-[1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]piperidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]piperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-4-piperidyl]cyclopropanecarboxamide Formula: C19H25BrN2O2S MolecularWeight: 425.383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC(CC2)NC(=O)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC(CC2)NC(=O)C3CC3

InChI

InChI=1S/C19H25BrN2O2S/c1-12-10-17(13(2)9-16(12)20)25-11-18(23)22-7-5-15(6-8-22)21-19(24)14-3-4-14/h9-10,14-15H,3-8,11H2,1-2H3,(H,21,24)