methyl N-(2-ethoxyphenyl)-N'-propanoyl-carbamimidothioate

Systemtic Name: methyl N-(2-ethoxyphenyl)-N'-propanoyl-carbamimidothioate Openeye Name: N-[(2-ethoxyanilino)-methylsulfanyl-methylene]propanamide CAS Name: N-(2-ethoxyphenyl)-N'-(1-oxopropyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(2-ethoxyphenyl)-N'-propanoylcarbamimidothioate Traditional Name: N-[(methylthio)-(o-phenetidino)methylene]propionamide Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C(NC1=CC=CC=C1OCC)SC

Isomeric SMILES

CCC(=O)N=C(NC1=CC=CC=C1OCC)SC

InChI

InChI=1S/C13H18N2O2S/c1-4-12(16)15-13(18-3)14-10-8-6-7-9-11(10)17-5-2/h6-9H,4-5H2,1-3H3,(H,14,15,16)