2-(quinazolin-4-yloxymethyl)-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide

Systemtic Name: 2-(quinazolin-4-yloxymethyl)-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Openeye Name: 2-(quinazolin-4-yloxymethyl)-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide CAS Name: 2-(4-quinazolinyloxymethyl)-N-(4-sulfamoylphenyl)-4-morpholinecarbothioamide IUPAC Name: 2-(quinazolin-4-yloxymethyl)-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Traditional Name: 2-(quinazolin-4-yloxymethyl)-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)COC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1COC(CN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)COC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O4S2/c21-31(26,27)16-7-5-14(6-8-16)24-20(30)25-9-10-28-15(11-25)12-29-19-17-3-1-2-4-18(17)22-13-23-19/h1-8,13,15H,9-12H2,(H,24,30)(H2,21,26,27)