N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C21H18N4O3S2/c1-3-10-25-19(27)14-6-4-5-7-15(14)23-21(25)29-12-18(26)24-20-22-16-9-8-13(28-2)11-17(16)30-20/h3-9,11H,1,10,12H2,2H3,(H,22,24,26)