N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloranylpyridin-3-yl)oxymethyl]morpholine-4-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloranylpyridin-3-yl)oxymethyl]morpholine-4-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-3-pyridyl)oxymethyl]morpholine-4-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-3-pyridinyl)oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloropyridin-3-yl)oxymethyl]morpholine-4-carbothioamide Traditional Name: 2-[(5-chloro-3-pyridyl)oxymethyl]-N-piperonyl-morpholine-4-carbothioamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NCC2=CC3=C(C=C2)OCO3)COC4=CC(=CN=C4)Cl

Isomeric SMILES

C1COC(CN1C(=S)NCC2=CC3=C(C=C2)OCO3)COC4=CC(=CN=C4)Cl

InChI

InChI=1S/C19H20ClN3O4S/c20-14-6-15(9-21-8-14)25-11-16-10-23(3-4-24-16)19(28)22-7-13-1-2-17-18(5-13)27-12-26-17/h1-2,5-6,8-9,16H,3-4,7,10-12H2,(H,22,28)