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

Systemtic Name: methyl 6-[[(Z)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-[4-(2-ketopyrrolidino)phenyl]ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C20H28N4O3S/c1-15(16-9-11-17(12-10-16)24-14-6-7-18(24)25)22-23-20(28)21-13-5-3-4-8-19(26)27-2/h9-12H,3-8,13-14H2,1-2H3,(H2,21,23,28)/b22-15-