2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C32H29N3O3S MolecularWeight: 535.65596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C32H29N3O3S/c1-38-27-16-10-15-26(21-27)35-31(37)28-17-8-9-18-29(28)33-32(35)39-23-30(36)34(22-25-13-6-3-7-14-25)20-19-24-11-4-2-5-12-24/h2-18,21H,19-20,22-23H2,1H3