N-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C16H11N3O3S/c20-15-10-3-1-2-4-11(10)18-14(19-15)16(23)17-9-5-6-12-13(7-9)22-8-21-12/h1-7H,8H2,(H,17,23)(H,18,19,20)