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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloranylpyridin-3-yl)oxymethyl]morpholine-4-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-3-pyridyl)oxymethyl]morpholine-4-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-3-pyridinyl)oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloropyridin-3-yl)oxymethyl]morpholine-4-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-3-pyridyl)oxymethyl]morpholine-4-carbothioamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=CC3=C(C=C2)OCO3)COC4=C(N=CC=C4)Cl

Isomeric SMILES

C1COC(CN1C(=S)NC2=CC3=C(C=C2)OCO3)COC4=C(N=CC=C4)Cl

InChI

InChI=1S/C18H18ClN3O4S/c19-17-15(2-1-5-20-17)24-10-13-9-22(6-7-23-13)18(27)21-12-3-4-14-16(8-12)26-11-25-14/h1-5,8,13H,6-7,9-11H2,(H,21,27)