[1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl carbamimidothioate

Systemtic Name: [1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl carbamimidothioate Openeye Name: 2-[[1-(4-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]methyl ester IUPAC Name: [1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl carbamimidothioate Traditional Name: 2-[[5-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]isothiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)CSC(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)CSC(=N)N

InChI

InChI=1S/C13H17N3O2S/c1-18-11-4-2-10(3-5-11)16-7-9(6-12(16)17)8-19-13(14)15/h2-5,9H,6-8H2,1H3,(H3,14,15)