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

Systemtic Name: 1-(4-chlorophenyl)-3-[4-[4-oxidanylidene-2-(phenoxymethyl)quinazolin-3-yl]phenyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[4-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]phenyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[4-[4-oxo-2-(phenoxymethyl)-3-quinazolinyl]phenyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[4-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]phenyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[4-[4-keto-2-(phenoxymethyl)quinazolin-3-yl]phenyl]thiourea Formula: C28H21ClN4O2S MolecularWeight: 513.00994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H21ClN4O2S/c29-19-10-12-20(13-11-19)30-28(36)31-21-14-16-22(17-15-21)33-26(18-35-23-6-2-1-3-7-23)32-25-9-5-4-8-24(25)27(33)34/h1-17H,18H2,(H2,30,31,36)