N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-2-(phenacylthio)-3-quinazolinyl]butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)butanamide Traditional Name: N-homoveratryl-4-[4-keto-2-(phenacylthio)quinazolin-3-yl]butyramide Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C30H31N3O5S/c1-37-26-15-14-21(19-27(26)38-2)16-17-31-28(35)13-8-18-33-29(36)23-11-6-7-12-24(23)32-30(33)39-20-25(34)22-9-4-3-5-10-22/h3-7,9-12,14-15,19H,8,13,16-18,20H2,1-2H3,(H,31,35)