2-(1,3-benzodioxol-5-ylmethoxymethyl)benzenecarbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethoxymethyl)benzenecarbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethoxymethyl)benzenecarbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylmethoxymethyl)benzenecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethoxymethyl)benzenecarbothioamide Traditional Name: 2-(piperonyloxymethyl)thiobenzamide Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC3=CC=CC=C3C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC3=CC=CC=C3C(=S)N

InChI

InChI=1S/C16H15NO3S/c17-16(21)13-4-2-1-3-12(13)9-18-8-11-5-6-14-15(7-11)20-10-19-14/h1-7H,8-10H2,(H2,17,21)