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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-isobutyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-N-isobutyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C29H31N3O3S MolecularWeight: 501.63974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3S/c1-18(2)16-30-27(33)21-8-13-25-26(15-21)31-29(36-17-22-14-19(3)6-7-20(22)4)32(28(25)34)23-9-11-24(35-5)12-10-23/h6-15,18H,16-17H2,1-5H3,(H,30,33)