1-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-3-ethyl-1-(4-methylsulfonylphenyl)urea

Systemtic Name: 1-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-3-ethyl-1-(4-methylsulfonylphenyl)urea Openeye Name: 1-[[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]methyl]-3-ethyl-1-(4-methylsulfonylphenyl)urea CAS Name: 1-[[3-[6-(2-cyanopropan-2-yl)-8-quinolinyl]phenyl]methyl]-3-ethyl-1-(4-methylsulfonylphenyl)urea IUPAC Name: 1-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-3-ethyl-1-(4-methylsulfonylphenyl)urea Traditional Name: 1-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]benzyl]-3-ethyl-1-(4-mesylphenyl)urea Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C#N)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCNC(=O)N(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C#N)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C30H30N4O3S/c1-5-32-29(35)34(25-11-13-26(14-12-25)38(4,36)37)19-21-8-6-9-22(16-21)27-18-24(30(2,3)20-31)17-23-10-7-15-33-28(23)27/h6-18H,5,19H2,1-4H3,(H,32,35)