ethyl 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O4S/c1-4-28-21(25)15-7-10-17(11-8-15)23-22(29)24-13-5-6-18(24)16-9-12-19(26-2)20(14-16)27-3/h7-12,14,18H,4-6,13H2,1-3H3,(H,23,29)