2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(3-phenoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(3-phenoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(3-phenoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(3-phenoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3-phenoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(3-phenoxybenzylidene)amino]acetamide Formula: C29H21BrN4O3S MolecularWeight: 585.47104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H21BrN4O3S/c30-21-13-15-22(16-14-21)34-28(36)25-11-4-5-12-26(25)32-29(34)38-19-27(35)33-31-18-20-7-6-10-24(17-20)37-23-8-2-1-3-9-23/h1-18H,19H2,(H,33,35)