N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H12N4O3S2 MolecularWeight: 384.43218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C17H12N4O3S2/c1-24-9-3-5-11-13(7-9)26-17(19-11)21-14(22)8-2-4-10-12(6-8)18-16(25)20-15(10)23/h2-7H,1H3,(H,19,21,22)(H2,18,20,23,25)