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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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