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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-isobutyl-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-N-isobutyl-4-keto-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H31N3O2S MolecularWeight: 485.64034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C29H31N3O2S/c1-18(2)16-30-27(33)23-9-10-25-26(15-23)31-29(35-17-22-8-6-7-19(3)12-22)32(28(25)34)24-13-20(4)11-21(5)14-24/h6-15,18H,16-17H2,1-5H3,(H,30,33)