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

Systemtic Name: 1-[[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]cyclopropyl]methyl]urea Openeye Name: [2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]cyclopropyl]methylurea CAS Name: [2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]cyclopropyl]methylurea IUPAC Name: [2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]cyclopropyl]methylurea Traditional Name: [2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]cyclopropyl]methylurea Formula: C27H34ClN3OS MolecularWeight: 484.09636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)C3CC3CNC(=O)N)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)C3CC3CNC(=O)N)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H34ClN3OS/c1-16(2)18-8-11-23-22(12-18)25(33-27(3,4)5)24(21-13-19(21)14-30-26(29)32)31(23)15-17-6-9-20(28)10-7-17/h6-12,16,19,21H,13-15H2,1-5H3,(H3,29,30,32)