ethyl 3-[[2-(3-methoxypropylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(3-methoxypropylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(3-methoxypropylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(3-methoxypropylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-methoxypropylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(3-methoxypropylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCCOC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCCOC

InChI

InChI=1S/C18H26N4O4S/c1-3-26-16(23)14-7-4-8-15(13-14)20-17(24)21-10-6-11-22(21)18(27)19-9-5-12-25-2/h4,7-8,13H,3,5-6,9-12H2,1-2H3,(H,19,27)(H,20,24)