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

Systemtic Name: 1-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-1-oxidanyl-5-propan-2-yl-indol-1-ium-2-yl]cyclopropyl]-1-methyl-urea Openeye Name: 1-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-1-hydroxy-5-isopropyl-indol-1-ium-2-yl]cyclopropyl]-1-methyl-urea CAS Name: 1-[2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-1-hydroxy-5-propan-2-yl-2-indol-1-iumyl]cyclopropyl]-1-methylurea IUPAC Name: 1-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-1-hydroxy-5-propan-2-ylindol-1-ium-2-yl]cyclopropyl]-1-methylurea Traditional Name: 1-[2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-1-hydroxy-5-isopropyl-indol-1-ium-2-yl]cyclopropyl]-1-methyl-urea Formula: C27H35ClN3O2S+ MolecularWeight: 501.1037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)[N+](C(=C2SC(C)(C)C)C3CC3N(C)C(=O)N)(CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[N+](C(=C2SC(C)(C)C)C3CC3N(C)C(=O)N)(CC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H34ClN3O2S/c1-16(2)18-9-12-23-21(13-18)25(34-27(3,4)5)24(20-14-22(20)30(6)26(29)32)31(23,33)15-17-7-10-19(28)11-8-17/h7-13,16,20,22,33H,14-15H2,1-6H3,(H-,29,32)/p+1