ethyl 4-[[1,3-benzodioxol-5-ylmethyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl(2-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[1,3-benzodioxol-5-ylmethyl(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[piperonyl(2-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C24H23N3O4S/c1-2-29-23(28)18-7-9-19(10-8-18)26-24(32)27(15-20-5-3-4-12-25-20)14-17-6-11-21-22(13-17)31-16-30-21/h3-13H,2,14-16H2,1H3,(H,26,32)