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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinazolinyloxymethyl)-4-morpholinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Traditional Name: N-piperonyl-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NCC2=CC3=C(C=C2)OCO3)COC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1COC(CN1C(=S)NCC2=CC3=C(C=C2)OCO3)COC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C22H22N4O4S/c31-22(23-10-15-5-6-19-20(9-15)30-14-29-19)26-7-8-27-16(11-26)12-28-21-17-3-1-2-4-18(17)24-13-25-21/h1-6,9,13,16H,7-8,10-12,14H2,(H,23,31)