1-[(2-dodecylsulfonylquinazolin-4-yl)amino]-3-[1-(4-methylphenyl)-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[(2-dodecylsulfonylquinazolin-4-yl)amino]-3-[1-(4-methylphenyl)-3-oxidanylidene-propyl]urea Openeye Name: 1-[(2-dodecylsulfonylquinazolin-4-yl)amino]-3-[3-oxo-1-(p-tolyl)propyl]urea CAS Name: 1-[(2-dodecylsulfonyl-4-quinazolinyl)amino]-3-[1-(4-methylphenyl)-3-oxopropyl]urea IUPAC Name: 1-[(2-dodecylsulfonylquinazolin-4-yl)amino]-3-[1-(4-methylphenyl)-3-oxopropyl]urea Traditional Name: 1-[3-keto-1-(p-tolyl)propyl]-3-[(2-laurylsulfonylquinazolin-4-yl)amino]urea Formula: C31H43N5O4S MolecularWeight: 581.76922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=NC2=CC=CC=C2C(=N1)NNC(=O)NC(CC=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=NC2=CC=CC=C2C(=N1)NNC(=O)NC(CC=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H43N5O4S/c1-3-4-5-6-7-8-9-10-11-14-23-41(39,40)31-33-28-16-13-12-15-26(28)29(34-31)35-36-30(38)32-27(21-22-37)25-19-17-24(2)18-20-25/h12-13,15-20,22,27H,3-11,14,21,23H2,1-2H3,(H2,32,36,38)(H,33,34,35)