2-(4-phenylsulfanylbutanoylamino)-5-piperidin-1-yl-benzamide

Systemtic Name: 2-(4-phenylsulfanylbutanoylamino)-5-piperidin-1-yl-benzamide Openeye Name: 2-(4-phenylsulfanylbutanoylamino)-5-(1-piperidyl)benzamide CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-5-(1-piperidinyl)benzamide IUPAC Name: 2-(4-phenylsulfanylbutanoylamino)-5-piperidin-1-ylbenzamide Traditional Name: 2-[4-(phenylthio)butanoylamino]-5-piperidino-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCCSC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCCSC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H27N3O2S/c23-22(27)19-16-17(25-13-5-2-6-14-25)11-12-20(19)24-21(26)10-7-15-28-18-8-3-1-4-9-18/h1,3-4,8-9,11-12,16H,2,5-7,10,13-15H2,(H2,23,27)(H,24,26)