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

Systemtic Name: methyl 6-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamothioylamino]hexanoate CAS Name: 6-[[[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamothioylamino]hexanoate Traditional Name: 6-[[4-(2-ketopyrrolidino)benzyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NCC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

COC(=O)CCCCCNC(=S)NCC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C19H27N3O3S/c1-25-18(24)7-3-2-4-12-20-19(26)21-14-15-8-10-16(11-9-15)22-13-5-6-17(22)23/h8-11H,2-7,12-14H2,1H3,(H2,20,21,26)