2-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(6-bromo-4-oxo-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(6-bromo-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(6-bromo-4-keto-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C19H17BrN4O3S/c20-10-5-6-13-12(7-10)19(27)24(9-22-13)8-15(25)23-18-16(17(21)26)11-3-1-2-4-14(11)28-18/h5-7,9H,1-4,8H2,(H2,21,26)(H,23,25)