N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H16N4O4S2/c1-29(26,27)11-6-7-14-15(10-11)28-19(21-14)23-17(24)9-8-16-20-13-5-3-2-4-12(13)18(25)22-16/h2-7,10H,8-9H2,1H3,(H,20,22,25)(H,21,23,24)