2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O3S2/c1-2-23-21-18-10-3-4-11-19(18)25-22(26-21)31-15-20(28)24-16-8-7-9-17(14-16)32(29,30)27-12-5-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,24,28)(H,23,25,26)