N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H14N4O3S2 MolecularWeight: 434.49086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)C4=CC5=C(C=C4)C(=O)NC(=S)N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)C4=CC5=C(C=C4)C(=O)NC(=S)N5

InChI

InChI=1S/C21H14N4O3S2/c26-18(11-5-7-13-15(9-11)24-21(29)25-19(13)27)22-10-12-6-8-16(28-12)20-23-14-3-1-2-4-17(14)30-20/h1-9H,10H2,(H,22,26)(H2,24,25,27,29)