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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-isobutyl-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-N-isobutyl-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H31N3O2S/c1-6-22-7-9-23(10-8-22)18-36-30-32-27-16-24(28(34)31-17-19(2)3)11-12-26(27)29(35)33(30)25-14-20(4)13-21(5)15-25/h6-16,19H,1,17-18H2,2-5H3,(H,31,34)