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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-4-phenylmethoxy-benzenecarbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-benzyloxy-3-methoxy-benzenecarbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-4-phenylmethoxybenzenecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-4-phenylmethoxybenzenecarbothioamide Traditional Name: 4-benzoxy-3-methoxy-N-piperonyl-thiobenzamide Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)NCC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)NCC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21NO4S/c1-25-21-12-18(8-10-19(21)26-14-16-5-3-2-4-6-16)23(29)24-13-17-7-9-20-22(11-17)28-15-27-20/h2-12H,13-15H2,1H3,(H,24,29)