1-[3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-1-oxidanyl-5-propan-2-yl-indol-1-ium-2-yl]-2,2-dimethyl-propyl]urea

Systemtic Name: 1-[3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-1-oxidanyl-5-propan-2-yl-indol-1-ium-2-yl]-2,2-dimethyl-propyl]urea Openeye Name: [3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-1-hydroxy-5-isopropyl-indol-1-ium-2-yl]-2,2-dimethyl-propyl]urea CAS Name: [3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-1-hydroxy-5-propan-2-yl-2-indol-1-iumyl]-2,2-dimethylpropyl]urea IUPAC Name: [3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-1-hydroxy-5-propan-2-ylindol-1-ium-2-yl]-2,2-dimethylpropyl]urea Traditional Name: [3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-1-hydroxy-5-isopropyl-indol-1-ium-2-yl]-2,2-dimethyl-propyl]urea Formula: C28H39ClN3O2S+ MolecularWeight: 517.14616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)[N+](C(=C2SC(C)(C)C)CC(C)(C)CNC(=O)N)(CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[N+](C(=C2SC(C)(C)C)CC(C)(C)CNC(=O)N)(CC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C28H38ClN3O2S/c1-18(2)20-10-13-23-22(14-20)25(35-27(3,4)5)24(15-28(6,7)17-31-26(30)33)32(23,34)16-19-8-11-21(29)12-9-19/h8-14,18,34H,15-17H2,1-7H3,(H2-,30,31,33)/p+1