ethyl 3-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 4-(4-ethylpiperazino)-3-(piperonyloylthiocarbamoylamino)benzoic acid ethyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N4O5S/c1-3-27-9-11-28(12-10-27)19-7-5-17(23(30)31-4-2)13-18(19)25-24(34)26-22(29)16-6-8-20-21(14-16)33-15-32-20/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,25,26,29,34)