N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S2/c1-3-21(23(31)29-25-27-20-14-13-16(2)15-22(20)33-25)34-26-28-19-12-8-7-11-18(19)24(32)30(26)17-9-5-4-6-10-17/h4-15,21H,3H2,1-2H3,(H,27,29,31)