4-oxidanylidene-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[2-(isopropoxymethyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(isopropoxymethyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C20H21N3O3S/c1-12(2)26-11-15-6-4-3-5-14(15)10-21-18(24)13-7-8-16-17(9-13)22-20(27)23-19(16)25/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H2,22,23,25,27)