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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-4-oxo-N-propyl-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-propyl-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=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/C28H27N3O2S/c1-3-16-29-26(32)23-14-15-24-25(17-23)30-28(34-19-22-12-10-20(4-2)11-13-22)31(27(24)33)18-21-8-6-5-7-9-21/h4-15,17H,2-3,16,18-19H2,1H3,(H,29,32)