ethyl 4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCC2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCC2=O

InChI

InChI=1S/C17H23N3O3S/c1-2-23-16(22)13-6-8-14(9-7-13)19-17(24)18-10-4-12-20-11-3-5-15(20)21/h6-9H,2-5,10-12H2,1H3,(H2,18,19,24)