2-[4-(phenylmethyl)piperidin-1-yl]-5-(2-phenylsulfanylethanoylamino)-N-propan-2-yl-benzamide

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-yl]-5-(2-phenylsulfanylethanoylamino)-N-propan-2-yl-benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-isopropyl-5-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: 5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-propan-2-ylbenzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(2-phenylsulfanylacetyl)amino]-N-propan-2-ylbenzamide Traditional Name: 2-(4-benzylpiperidino)-N-isopropyl-5-[[2-(phenylthio)acetyl]amino]benzamide Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2S/c1-22(2)31-30(35)27-20-25(32-29(34)21-36-26-11-7-4-8-12-26)13-14-28(27)33-17-15-24(16-18-33)19-23-9-5-3-6-10-23/h3-14,20,22,24H,15-19,21H2,1-2H3,(H,31,35)(H,32,34)