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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-(phenacylthio)-3-quinazolinyl]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)propanamide Traditional Name: N-homoveratryl-3-[4-keto-2-(phenacylthio)quinazolin-3-yl]propionamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H29N3O5S/c1-36-25-13-12-20(18-26(25)37-2)14-16-30-27(34)15-17-32-28(35)22-10-6-7-11-23(22)31-29(32)38-19-24(33)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,30,34)