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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-methoxyphenyl)-N-methyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-2-[(2,5-dimethylbenzyl)thio]-4-keto-3-(4-methoxyphenyl)-N-methyl-quinazoline-7-carboxamide Formula: C33H31N3O3S MolecularWeight: 549.68254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H31N3O3S/c1-22-10-11-23(2)26(18-22)21-40-33-34-30-19-25(31(37)35(3)20-24-8-6-5-7-9-24)12-17-29(30)32(38)36(33)27-13-15-28(39-4)16-14-27/h5-19H,20-21H2,1-4H3