2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]ethanamide Openeye Name: N-[(E)-(3-benzyloxyphenyl)methyleneamino]-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(3-benzoxybenzylidene)amino]-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C31H26N4O4S MolecularWeight: 550.62754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N4O4S/c1-38-25-16-14-24(15-17-25)35-30(37)27-12-5-6-13-28(27)33-31(35)40-21-29(36)34-32-19-23-10-7-11-26(18-23)39-20-22-8-3-2-4-9-22/h2-19H,20-21H2,1H3,(H,34,36)/b32-19+