N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-trimethoxy-benzenecarbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-trimethoxy-benzenecarbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-trimethoxy-benzenecarbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-trimethoxybenzenecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-trimethoxybenzenecarbothioamide Traditional Name: 3,4,5-trimethoxy-N-piperonyl-thiobenzamide Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19NO5S/c1-20-15-7-12(8-16(21-2)17(15)22-3)18(25)19-9-11-4-5-13-14(6-11)24-10-23-13/h4-8H,9-10H2,1-3H3,(H,19,25)