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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(2-methoxyethyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-(2-methoxyethyl)-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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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)CC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-3-20-9-11-22(12-10-20)19-35-28-30-25-17-23(26(32)29-15-16-34-2)13-14-24(25)27(33)31(28)18-21-7-5-4-6-8-21/h3-14,17H,1,15-16,18-19H2,2H3,(H,29,32)