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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: N-isopropyl-3-(4-methoxyphenyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(4-methoxyphenyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-3-(4-methoxyphenyl)-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-5-19-6-8-20(9-7-19)17-35-28-30-25-16-21(26(32)29-18(2)3)10-15-24(25)27(33)31(28)22-11-13-23(34-4)14-12-22/h5-16,18H,1,17H2,2-4H3,(H,29,32)