1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(2-chloro-5-methylsulfanyl-benzoyl)piperidine-4-carboxamide CAS Name: 1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-chloro-5-(methylthio)benzoyl]isonipecotamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O2S/c1-27-17-7-8-19(22)18(13-17)21(26)24-11-9-16(10-12-24)20(25)23-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,23,25)