N-(1,3-benzodioxol-5-yl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-quinazolinyloxymethyl)-4-morpholinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=CC3=C(C=C2)OCO3)COC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1COC(CN1C(=S)NC2=CC3=C(C=C2)OCO3)COC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C21H20N4O4S/c30-21(24-14-5-6-18-19(9-14)29-13-28-18)25-7-8-26-15(10-25)11-27-20-16-3-1-2-4-17(16)22-12-23-20/h1-6,9,12,15H,7-8,10-11,13H2,(H,24,30)