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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-isobutyl-4-oxo-3-phenethyl-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-isobutyl-4-keto-3-phenethyl-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CNC(=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/C30H31N3O2S/c1-4-22-10-12-24(13-11-22)20-36-30-32-27-18-25(28(34)31-19-21(2)3)14-15-26(27)29(35)33(30)17-16-23-8-6-5-7-9-23/h4-15,18,21H,1,16-17,19-20H2,2-3H3,(H,31,34)