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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-benzenecarbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-benzenecarbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxybenzenecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxybenzenecarbothioamide Traditional Name: 4-methoxy-N-piperonyl-thiobenzamide Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15NO3S/c1-18-13-5-3-12(4-6-13)16(21)17-9-11-2-7-14-15(8-11)20-10-19-14/h2-8H,9-10H2,1H3,(H,17,21)