N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C19H20BrN3O2S2 MolecularWeight: 466.415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C19H20BrN3O2S2/c20-17-8-7-14(27-17)12-26-11-9-21-18(24)6-3-10-23-13-22-16-5-2-1-4-15(16)19(23)25/h1-2,4-5,7-8,13H,3,6,9-12H2,(H,21,24)