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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propyl-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenethyl-N-propyl-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-4-oxo-3-phenethyl-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propylquinazoline-7-carboxamide Traditional Name: 4-keto-3-phenethyl-N-propyl-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O2S/c1-3-17-30-27(33)24-14-15-25-26(19-24)31-29(35-20-23-12-10-21(4-2)11-13-23)32(28(25)34)18-16-22-8-6-5-7-9-22/h4-15,19H,2-3,16-18,20H2,1H3,(H,30,33)