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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(o-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanamide Traditional Name: N-homoveratryl-3-[4-keto-2-[(2-methylbenzyl)thio]quinazolin-3-yl]propionamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H31N3O4S/c1-20-8-4-5-9-22(20)19-37-29-31-24-11-7-6-10-23(24)28(34)32(29)17-15-27(33)30-16-14-21-12-13-25(35-2)26(18-21)36-3/h4-13,18H,14-17,19H2,1-3H3,(H,30,33)