N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-1-o-toluoyl-isonipecotamide Formula: C21H25BrN2O2S2 MolecularWeight: 481.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C21H25BrN2O2S2/c1-15-4-2-3-5-18(15)21(26)24-11-8-16(9-12-24)20(25)23-10-13-27-14-17-6-7-19(22)28-17/h2-7,16H,8-14H2,1H3,(H,23,25)