2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)C4=CC(=CC=C4)OC

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H27N3O4S/c1-4-19-8-10-20(11-9-19)18-36-28-30-25-16-21(26(32)29-14-15-34-2)12-13-24(25)27(33)31(28)22-6-5-7-23(17-22)35-3/h4-13,16-17H,1,14-15,18H2,2-3H3,(H,29,32)