3-(4-methylsulfanylphenyl)-1-[1-(4-oxidanylidene-3-propyl-quinazolin-2-yl)ethyl]-1-(phenylmethyl)urea

Systemtic Name: 3-(4-methylsulfanylphenyl)-1-[1-(4-oxidanylidene-3-propyl-quinazolin-2-yl)ethyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(4-methylsulfanylphenyl)-1-[1-(4-oxo-3-propyl-quinazolin-2-yl)ethyl]urea CAS Name: 3-[4-(methylthio)phenyl]-1-[1-(4-oxo-3-propyl-2-quinazolinyl)ethyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(4-methylsulfanylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea Traditional Name: 1-benzyl-1-[1-(4-keto-3-propyl-quinazolin-2-yl)ethyl]-3-[4-(methylthio)phenyl]urea Formula: C28H30N4O2S MolecularWeight: 486.6284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1C(C)N(CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1C(C)N(CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C28H30N4O2S/c1-4-18-31-26(30-25-13-9-8-12-24(25)27(31)33)20(2)32(19-21-10-6-5-7-11-21)28(34)29-22-14-16-23(35-3)17-15-22/h5-17,20H,4,18-19H2,1-3H3,(H,29,34)