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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-benzenecarbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-benzenecarbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenecarbothioamide Traditional Name: 4-ethyl-N-piperonyl-thiobenzamide Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO2S/c1-2-12-3-6-14(7-4-12)17(21)18-10-13-5-8-15-16(9-13)20-11-19-15/h3-9H,2,10-11H2,1H3,(H,18,21)