2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]butyramide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC

InChI

InChI=1S/C21H22BrN3O2S/c1-3-18(19(26)23-13-14-8-6-5-7-9-14)28-21-24-17-11-10-15(22)12-16(17)20(27)25(21)4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,26)