N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C)OC

InChI

InChI=1S/C21H18N4O4S2/c1-4-7-25-19(27)12-6-5-11(8-13(12)23-21(25)30)18(26)24-20-22-14-9-15(28-2)16(29-3)10-17(14)31-20/h4-6,8-10H,1,7H2,2-3H3,(H,23,30)(H,22,24,26)