2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-4-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[2-methoxy-4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxy-4-morpholinosulfonyl-phenyl)acetamide Formula: C29H30N4O6S2 MolecularWeight: 594.7017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)OC)C

InChI

InChI=1S/C29H30N4O6S2/c1-19-14-20(2)16-21(15-19)33-28(35)23-6-4-5-7-24(23)31-29(33)40-18-27(34)30-25-9-8-22(17-26(25)38-3)41(36,37)32-10-12-39-13-11-32/h4-9,14-17H,10-13,18H2,1-3H3,(H,30,34)