N-[3-(hydroxymethyl)phenyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[3-(hydroxymethyl)phenyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-[3-(hydroxymethyl)phenyl]-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[3-(hydroxymethyl)phenyl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-[3-(hydroxymethyl)phenyl]-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(3-methylolphenyl)-1H-quinazoline-2-carbothioamide Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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