ethyl 3-[[2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[[(2,3-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(o-veratrylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C23H28N4O5S/c1-4-32-21(28)16-8-5-10-18(14-16)25-22(29)26-12-7-13-27(26)23(33)24-15-17-9-6-11-19(30-2)20(17)31-3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,24,33)(H,25,29)