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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-isobutyl-3-(4-methoxyphenyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-isobutyl-4-keto-3-(4-methoxyphenyl)-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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

Isomeric SMILES

CC(C)CNC(=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/C29H29N3O3S/c1-5-20-6-8-21(9-7-20)18-36-29-31-26-16-22(27(33)30-17-19(2)3)10-15-25(26)28(34)32(29)23-11-13-24(35-4)14-12-23/h5-16,19H,1,17-18H2,2-4H3,(H,30,33)