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

Systemtic Name: N-(3H-benzimidazol-5-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(3H-benzimidazol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(3H-benzimidazol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(3H-benzimidazol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(3H-benzimidazol-5-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=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=CC4=C(C=C3)N=CN4

InChI

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