methyl N'-(4-butoxyphenyl)carbonylcarbamimidothioate

Systemtic Name: methyl N'-(4-butoxyphenyl)carbonylcarbamimidothioate Openeye Name: N-[amino(methylsulfanyl)methylene]-4-butoxy-benzamide CAS Name: N'-[(4-butoxyphenyl)-oxomethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-butoxybenzoyl)carbamimidothioate Traditional Name: N-[amino-(methylthio)methylene]-4-butoxy-benzamide Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C(N)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C(N)SC

InChI

InChI=1S/C13H18N2O2S/c1-3-4-9-17-11-7-5-10(6-8-11)12(16)15-13(14)18-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,16)