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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(3-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanamide Traditional Name: 3-[2-[(3-fluorobenzyl)thio]-4-keto-quinazolin-3-yl]-N-homoveratryl-propionamide Formula: C28H28FN3O4S MolecularWeight: 521.603023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F)OC

InChI

InChI=1S/C28H28FN3O4S/c1-35-24-11-10-19(17-25(24)36-2)12-14-30-26(33)13-15-32-27(34)22-8-3-4-9-23(22)31-28(32)37-18-20-6-5-7-21(29)16-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33)