1-[4-methyl-1-(3-phenylsulfanylindol-1-yl)pentan-2-yl]-1-oxidanyl-urea

Systemtic Name: 1-[4-methyl-1-(3-phenylsulfanylindol-1-yl)pentan-2-yl]-1-oxidanyl-urea Openeye Name: 1-hydroxy-1-[3-methyl-1-[(3-phenylsulfanylindol-1-yl)methyl]butyl]urea CAS Name: 1-hydroxy-1-[4-methyl-1-[3-(phenylthio)-1-indolyl]pentan-2-yl]urea IUPAC Name: 1-hydroxy-1-[4-methyl-1-(3-phenylsulfanylindol-1-yl)pentan-2-yl]urea Traditional Name: 1-hydroxy-1-[3-methyl-1-[[3-(phenylthio)indol-1-yl]methyl]butyl]urea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=C(C2=CC=CC=C21)SC3=CC=CC=C3)N(C(=O)N)O

Isomeric SMILES

CC(C)CC(CN1C=C(C2=CC=CC=C21)SC3=CC=CC=C3)N(C(=O)N)O

InChI

InChI=1S/C21H25N3O2S/c1-15(2)12-16(24(26)21(22)25)13-23-14-20(18-10-6-7-11-19(18)23)27-17-8-4-3-5-9-17/h3-11,14-16,26H,12-13H2,1-2H3,(H2,22,25)