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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-benzenecarbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-benzenecarbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenylbenzenecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenylbenzenecarbothioamide Traditional Name: 4-phenyl-N-piperonyl-thiobenzamide Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO2S/c25-21(22-13-15-6-11-19-20(12-15)24-14-23-19)18-9-7-17(8-10-18)16-4-2-1-3-5-16/h1-12H,13-14H2,(H,22,25)