N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-(2-benzo[e][1,3]benzoxazolyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C27H18N4O2S MolecularWeight: 462.52242

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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=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=CC=C4NC(=O)CSC5=NC=NC6=CC=CC=C65

InChI

InChI=1S/C27H18N4O2S/c32-24(15-34-27-20-10-4-5-11-21(20)28-16-29-27)30-22-12-6-3-9-19(22)26-31-25-18-8-2-1-7-17(18)13-14-23(25)33-26/h1-14,16H,15H2,(H,30,32)