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

Systemtic Name: 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]ethanamide Openeye Name: N-[(E)-(3-benzyloxyphenyl)methyleneamino]-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(3-benzoxybenzylidene)amino]-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C31H26N4O3S MolecularWeight: 534.62814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N4O3S/c1-22-10-5-8-17-28(22)35-30(37)26-15-6-7-16-27(26)33-31(35)39-21-29(36)34-32-19-24-13-9-14-25(18-24)38-20-23-11-3-2-4-12-23/h2-19H,20-21H2,1H3,(H,34,36)/b32-19+