N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H13N3O3S/c21-16-11-3-1-2-4-12(11)19-15(20-16)17(24)18-10-5-6-13-14(9-10)23-8-7-22-13/h1-6,9H,7-8H2,(H,18,24)(H,19,20,21)