1-[2-[4-[5,7-dimethyl-2-(3-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[2-[4-[5,7-dimethyl-2-(3-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[2-[4-[5,7-dimethyl-2-[3-(2-thienyl)propyl]imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[2-[4-[5,7-dimethyl-2-(3-thiophen-2-ylpropyl)-3-imidazo[4,5-b]pyridinyl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[2-[4-[5,7-dimethyl-2-(3-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[2-[4-[5,7-dimethyl-2-[3-(2-thienyl)propyl]imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-3-tosyl-urea Formula: C31H33N5O3S2 MolecularWeight: 587.75542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=C(C=C2)N3C(=NC4=C3N=C(C=C4C)C)CCCC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=C(C=C2)N3C(=NC4=C3N=C(C=C4C)C)CCCC5=CC=CS5

InChI

InChI=1S/C31H33N5O3S2/c1-21-9-15-27(16-10-21)41(38,39)35-31(37)32-18-17-24-11-13-25(14-12-24)36-28(8-4-6-26-7-5-19-40-26)34-29-22(2)20-23(3)33-30(29)36/h5,7,9-16,19-20H,4,6,8,17-18H2,1-3H3,(H2,32,35,37)