6-[2-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[[2-(5-bromo-2-thiophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[[2-(5-bromo-2-thienyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]hexanamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(S3)Br)CCCCCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(S3)Br)CCCCCC(=O)N

InChI

InChI=1S/C20H20BrN3O3S2/c21-17-10-9-16(29-17)15(25)12-28-20-23-14-7-4-3-6-13(14)19(27)24(20)11-5-1-2-8-18(22)26/h3-4,6-7,9-10H,1-2,5,8,11-12H2,(H2,22,26)