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

Systemtic Name: methyl 4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(2-oxo-1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(2-ketopyrrolidino)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-22-15(21)5-2-10-17-16(23)18-12-6-8-13(9-7-12)19-11-3-4-14(19)20/h6-9H,2-5,10-11H2,1H3,(H2,17,18,23)