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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-quinazoline-2-carbothioamide Formula: C17H12N4O2S2 MolecularWeight: 368.43278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

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