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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: N-isopropyl-3-(3-methoxyphenyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(3-methoxyphenyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-3-(3-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(=CC=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(=CC=C4)OC

InChI

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