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

Systemtic Name: N-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(1-methylbenzimidazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(1-methyl-2-benzimidazolyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(1-methylbenzimidazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(1-methylbenzimidazol-2-yl)-1H-quinazoline-2-carbothioamide Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN1C2=CC=CC=C2N=C1NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H13N5OS/c1-22-13-9-5-4-8-12(13)19-17(22)21-16(24)14-18-11-7-3-2-6-10(11)15(23)20-14/h2-9H,1H3,(H,18,20,23)(H,19,21,24)