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

Systemtic Name: 1-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-1-(4-methylsulfonylphenyl)-3-propan-2-yl-urea Openeye Name: 1-[[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]methyl]-3-isopropyl-1-(4-methylsulfonylphenyl)urea CAS Name: 1-[[3-[6-(2-cyanopropan-2-yl)-8-quinolinyl]phenyl]methyl]-1-(4-methylsulfonylphenyl)-3-propan-2-ylurea IUPAC Name: 1-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-1-(4-methylsulfonylphenyl)-3-propan-2-ylurea Traditional Name: 1-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]benzyl]-3-isopropyl-1-(4-mesylphenyl)urea Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=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

CC(C)NC(=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/C31H32N4O3S/c1-21(2)34-30(36)35(26-11-13-27(14-12-26)39(5,37)38)19-22-8-6-9-23(16-22)28-18-25(31(3,4)20-32)17-24-10-7-15-33-29(24)28/h6-18,21H,19H2,1-5H3,(H,34,36)