1-[2-[4-[[2-butan-2-yl-4-methylsulfanyl-5-(2-methylsulfinylethanoyl)imidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-propyl-urea

Systemtic Name: 1-[2-[4-[[2-butan-2-yl-4-methylsulfanyl-5-(2-methylsulfinylethanoyl)imidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-propyl-urea Openeye Name: 1-[2-[4-[[4-methylsulfanyl-5-(2-methylsulfinylacetyl)-2-sec-butyl-imidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-propyl-urea CAS Name: 1-[2-[4-[[2-butan-2-yl-5-(2-methylsulfinyl-1-oxoethyl)-4-(methylthio)-1-imidazolyl]methyl]phenyl]phenyl]sulfonyl-3-propylurea IUPAC Name: 1-[2-[4-[[2-butan-2-yl-4-methylsulfanyl-5-(2-methylsulfinylacetyl)imidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-propylurea Traditional Name: 1-[2-[4-[[5-(2-methylsulfinylacetyl)-4-(methylthio)-2-sec-butyl-imidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-propyl-urea Formula: C28H36N4O5S3 MolecularWeight: 604.80424

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=C(N=C3C(C)CC)SC)C(=O)CS(=O)C

Isomeric SMILES

CCCNC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=C(N=C3C(C)CC)SC)C(=O)CS(=O)C

InChI

InChI=1S/C28H36N4O5S3/c1-6-16-29-28(34)31-40(36,37)24-11-9-8-10-22(24)21-14-12-20(13-15-21)17-32-25(23(33)18-39(5)35)27(38-4)30-26(32)19(3)7-2/h8-15,19H,6-7,16-18H2,1-5H3,(H2,29,31,34)