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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)SC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)SC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C21H20N4O2S2/c1-4-16(18(26)24-20-22-15-10-9-12(2)11-17(15)28-20)29-21-23-14-8-6-5-7-13(14)19(27)25(21)3/h5-11,16H,4H2,1-3H3,(H,22,24,26)