N-(2-oxidanylcyclohexyl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(2-oxidanylcyclohexyl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(2-hydroxycyclohexyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(2-hydroxycyclohexyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(2-hydroxycyclohexyl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(2-hydroxycyclohexyl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)O

Isomeric SMILES

C1CCC(C(C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)O

InChI

InChI=1S/C15H17N3O2S/c19-12-8-4-3-7-11(12)17-15(21)13-16-10-6-2-1-5-9(10)14(20)18-13/h1-2,5-6,11-12,19H,3-4,7-8H2,(H,17,21)(H,16,18,20)