1-(2-phenylsulfanylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(2-phenylsulfanylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(2-phenylsulfanylethyl)-3-[[4-(1-piperidylmethyl)phenyl]methyl]urea CAS Name: 1-[2-(phenylthio)ethyl]-3-[[4-(1-piperidinylmethyl)phenyl]methyl]urea IUPAC Name: 1-(2-phenylsulfanylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-[2-(phenylthio)ethyl]-3-[4-(piperidinomethyl)benzyl]urea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c26-22(23-13-16-27-21-7-3-1-4-8-21)24-17-19-9-11-20(12-10-19)18-25-14-5-2-6-15-25/h1,3-4,7-12H,2,5-6,13-18H2,(H2,23,24,26)