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

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(E)-(3-bromophenyl)methyleneamino]-2-[3-(2-methylallyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[[3-(2-methylprop-2-enyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(E)-(3-bromobenzylidene)amino]-2-[[4-keto-3-(2-methylallyl)quinazolin-2-yl]thio]acetamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-14(2)12-26-20(28)17-8-3-4-9-18(17)24-21(26)29-13-19(27)25-23-11-15-6-5-7-16(22)10-15/h3-11H,1,12-13H2,2H3,(H,25,27)/b23-11+