methyl 6-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(2-oxo-1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(2-ketopyrrolidino)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C18H25N3O3S/c1-24-17(23)7-3-2-4-12-19-18(25)20-14-8-10-15(11-9-14)21-13-5-6-16(21)22/h8-11H,2-7,12-13H2,1H3,(H2,19,20,25)