1-[3-methyl-2-(phenylmethylsulfanyl)butyl]-1-phenethyl-3-(3-pyridin-4-ylpropyl)urea

Systemtic Name: 1-[3-methyl-2-(phenylmethylsulfanyl)butyl]-1-phenethyl-3-(3-pyridin-4-ylpropyl)urea Openeye Name: 1-(2-benzylsulfanyl-3-methyl-butyl)-1-phenethyl-3-[3-(4-pyridyl)propyl]urea CAS Name: 1-[3-methyl-2-(phenylmethylthio)butyl]-1-phenethyl-3-(3-pyridin-4-ylpropyl)urea IUPAC Name: 1-(2-benzylsulfanyl-3-methylbutyl)-1-phenethyl-3-(3-pyridin-4-ylpropyl)urea Traditional Name: 1-[2-(benzylthio)-3-methyl-butyl]-1-phenethyl-3-[3-(4-pyridyl)propyl]urea Formula: C29H37N3OS MolecularWeight: 475.68858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN(CCC1=CC=CC=C1)C(=O)NCCCC2=CC=NC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(CN(CCC1=CC=CC=C1)C(=O)NCCCC2=CC=NC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C29H37N3OS/c1-24(2)28(34-23-27-12-7-4-8-13-27)22-32(21-17-25-10-5-3-6-11-25)29(33)31-18-9-14-26-15-19-30-20-16-26/h3-8,10-13,15-16,19-20,24,28H,9,14,17-18,21-23H2,1-2H3,(H,31,33)