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

Systemtic Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)C=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)C=C)C

InChI

InChI=1S/C31H31N3O2S/c1-4-22-9-11-23(12-10-22)19-37-31-33-28-18-24(29(35)32-25-7-5-6-8-25)13-14-27(28)30(36)34(31)26-16-20(2)15-21(3)17-26/h4,9-18,25H,1,5-8,19H2,2-3H3,(H,32,35)