N-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(E)-(3-bromo-4-methoxy-benzylidene)amino]-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C25H21BrN4O3S MolecularWeight: 537.42824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C25H21BrN4O3S/c1-16-7-3-6-10-21(16)30-24(32)18-8-4-5-9-20(18)28-25(30)34-15-23(31)29-27-14-17-11-12-22(33-2)19(26)13-17/h3-14H,15H2,1-2H3,(H,29,31)/b27-14+