N-[2-(hydroxymethyl)phenyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[2-(hydroxymethyl)phenyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-[2-(hydroxymethyl)phenyl]-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[2-(hydroxymethyl)phenyl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-[2-(hydroxymethyl)phenyl]-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(2-methylolphenyl)-1H-quinazoline-2-carbothioamide Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S/c20-9-10-5-1-3-7-12(10)18-16(22)14-17-13-8-4-2-6-11(13)15(21)19-14/h1-8,20H,9H2,(H,18,22)(H,17,19,21)