2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-benzylphenyl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C31H27N3O2S MolecularWeight: 505.62998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O2S/c1-2-22-16-18-25(19-17-22)34-30(36)26-13-7-9-15-28(26)33-31(34)37-21-29(35)32-27-14-8-6-12-24(27)20-23-10-4-3-5-11-23/h3-19H,2,20-21H2,1H3,(H,32,35)