N-(1H-benzimidazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(1H-benzimidazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(1H-benzimidazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(1H-benzimidazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(1H-benzimidazol-2-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C16H11N5OS MolecularWeight: 321.35644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H11N5OS/c22-14-9-5-1-2-6-10(9)17-13(20-14)15(23)21-16-18-11-7-3-4-8-12(11)19-16/h1-8H,(H,17,20,22)(H2,18,19,21,23)