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

Systemtic Name: ethyl 4-[(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(pyrrolidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyrrolidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(pyrrolidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O3S/c1-2-26-19(25)16-5-7-17(8-6-16)21-20(27)23-13-9-15(10-14-23)18(24)22-11-3-4-12-22/h5-8,15H,2-4,9-14H2,1H3,(H,21,27)