N-[4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]phenyl]methanesulfonamide Formula: C21H17N3O3S3 MolecularWeight: 455.57298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H17N3O3S3/c1-30(26,27)24-15-10-8-14(9-11-15)18(25)13-29-21-16-5-2-3-6-17(16)22-20(23-21)19-7-4-12-28-19/h2-12,24H,13H2,1H3