1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-3-thienyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethyl-3-thienyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethanone Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O2S2/c1-14-11-17(15(2)28-14)19(25)13-27-21-16-5-3-4-6-18(16)22-20(23-21)12-24-7-9-26-10-8-24/h3-6,11H,7-10,12-13H2,1-2H3/p+1