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

Systemtic Name: methyl 4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamothioylamino]butanoate CAS Name: 4-[[[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamothioylamino]butanoate Traditional Name: 4-[[4-(2-ketopyrrolidino)benzyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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