ethyl 4-[(2-pyrrolidin-1-ylcarbonylpyrrolidin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-pyrrolidin-1-ylcarbonylpyrrolidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[[2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2C(=O)N3CCCC3

InChI

InChI=1S/C19H25N3O3S/c1-2-25-18(24)14-7-9-15(10-8-14)20-19(26)22-13-5-6-16(22)17(23)21-11-3-4-12-21/h7-10,16H,2-6,11-13H2,1H3,(H,20,26)