1-(4-methylphenyl)-3-[4-[4-oxidanylidene-2-(phenoxymethyl)quinazolin-3-yl]phenyl]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[4-[4-oxidanylidene-2-(phenoxymethyl)quinazolin-3-yl]phenyl]thiourea Openeye Name: 1-[4-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]phenyl]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[4-[4-oxo-2-(phenoxymethyl)-3-quinazolinyl]phenyl]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[4-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]phenyl]thiourea Traditional Name: 1-[4-[4-keto-2-(phenoxymethyl)quinazolin-3-yl]phenyl]-3-(p-tolyl)thiourea Formula: C29H24N4O2S MolecularWeight: 492.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)COC5=CC=CC=C5

InChI

InChI=1S/C29H24N4O2S/c1-20-11-13-21(14-12-20)30-29(36)31-22-15-17-23(18-16-22)33-27(19-35-24-7-3-2-4-8-24)32-26-10-6-5-9-25(26)28(33)34/h2-18H,19H2,1H3,(H2,30,31,36)