2-(1,3-benzodioxol-5-yloxymethyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)morpholine-4-carbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)morpholine-4-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(4-chloro-2,5-dimethoxy-phenyl)morpholine-4-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholinecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(4-chloro-2,5-dimethoxy-phenyl)morpholine-4-carbothioamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4)OC)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-25-18-9-16(19(26-2)8-15(18)22)23-21(31)24-5-6-27-14(10-24)11-28-13-3-4-17-20(7-13)30-12-29-17/h3-4,7-9,14H,5-6,10-12H2,1-2H3,(H,23,31)