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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H12N4O2S2 MolecularWeight: 368.43278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C17H12N4O2S2/c1-8-3-2-4-12-13(8)19-17(25-12)21-14(22)9-5-6-10-11(7-9)18-16(24)20-15(10)23/h2-7H,1H3,(H,19,21,22)(H2,18,20,23,24)