3-(3,5-dimethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(3,5-dimethylphenyl)-N-methyl-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-N-methyl-2-[(3-methylphenyl)methylthio]-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-3-(3,5-dimethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-3-(3,5-dimethylphenyl)-4-keto-N-methyl-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C33H31N3O2S MolecularWeight: 533.68314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N(C)CC4=CC=CC=C4)C(=O)N2C5=CC(=CC(=C5)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N(C)CC4=CC=CC=C4)C(=O)N2C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C33H31N3O2S/c1-22-9-8-12-26(16-22)21-39-33-34-30-19-27(31(37)35(4)20-25-10-6-5-7-11-25)13-14-29(30)32(38)36(33)28-17-23(2)15-24(3)18-28/h5-19H,20-21H2,1-4H3