N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H21N3O4S2/c1-13(19(25)14-7-9-15(10-8-14)23-30(2,27)28)29-21-22-18-6-4-3-5-17(18)20(26)24(21)16-11-12-16/h3-10,13,16,23H,11-12H2,1-2H3