N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(6-bromanylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(6-bromanylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(6-bromoquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(2-benzo[e][1,3]benzoxazolyl)phenyl]-2-[(6-bromo-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(6-bromoquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-[(6-bromoquinazolin-4-yl)thio]acetamide Formula: C27H17BrN4O2S MolecularWeight: 541.41848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=CC=C4NC(=O)CSC5=NC=NC6=C5C=C(C=C6)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=CC=C4NC(=O)CSC5=NC=NC6=C5C=C(C=C6)Br

InChI

InChI=1S/C27H17BrN4O2S/c28-17-10-11-21-20(13-17)27(30-15-29-21)35-14-24(33)31-22-8-4-3-7-19(22)26-32-25-18-6-2-1-5-16(18)9-12-23(25)34-26/h1-13,15H,14H2,(H,31,33)