N-(4-bromophenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-bromophenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-bromophenyl)-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-bromophenyl)-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-bromophenyl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]propionamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-13(12-28-3)25-20(27)17-6-4-5-7-18(17)24-21(25)29-14(2)19(26)23-16-10-8-15(22)9-11-16/h4-11,13-14H,12H2,1-3H3,(H,23,26)