3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-isopropyl-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-N-isopropyl-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=CC=C(C=C4)C=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=CC=C(C=C4)C=C)C

InChI

InChI=1S/C29H29N3O2S/c1-6-21-7-9-22(10-8-21)17-35-29-31-26-16-23(27(33)30-18(2)3)11-12-25(26)28(34)32(29)24-14-19(4)13-20(5)15-24/h6-16,18H,1,17H2,2-5H3,(H,30,33)