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

Systemtic Name: 1-[(2-dodecylsulfonylquinazolin-4-yl)amino]-3-[3-(4-methylphenoxy)propyl]urea Openeye Name: 1-[(2-dodecylsulfonylquinazolin-4-yl)amino]-3-[3-(4-methylphenoxy)propyl]urea CAS Name: 1-[(2-dodecylsulfonyl-4-quinazolinyl)amino]-3-[3-(4-methylphenoxy)propyl]urea IUPAC Name: 1-[(2-dodecylsulfonylquinazolin-4-yl)amino]-3-[3-(4-methylphenoxy)propyl]urea Traditional Name: 1-[(2-laurylsulfonylquinazolin-4-yl)amino]-3-[3-(4-methylphenoxy)propyl]urea Formula: C31H45N5O4S MolecularWeight: 583.7851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=NC2=CC=CC=C2C(=N1)NNC(=O)NCCCOC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=NC2=CC=CC=C2C(=N1)NNC(=O)NCCCOC3=CC=C(C=C3)C

InChI

InChI=1S/C31H45N5O4S/c1-3-4-5-6-7-8-9-10-11-14-24-41(38,39)31-33-28-17-13-12-16-27(28)29(34-31)35-36-30(37)32-22-15-23-40-26-20-18-25(2)19-21-26/h12-13,16-21H,3-11,14-15,22-24H2,1-2H3,(H2,32,36,37)(H,33,34,35)