1-(3-phenylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(3-phenylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(3-phenylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[3-(phenylthio)propyl]-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]urea IUPAC Name: 1-(3-phenylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-[3-(phenylthio)propyl]-3-[2-(pyrrolidinomethyl)benzyl]urea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)NCCCSC3=CC=CC=C3

InChI

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