methyl N'-(1-phenylbutyl)-N-propanoyl-carbamimidothioate

Systemtic Name: methyl N'-(1-phenylbutyl)-N-propanoyl-carbamimidothioate Openeye Name: N-[C-methylsulfanyl-N-(1-phenylbutyl)carbonimidoyl]propanamide CAS Name: N-(1-oxopropyl)-N'-(1-phenylbutyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-phenylbutyl)-N-propanoylcarbamimidothioate Traditional Name: N-[C-(methylthio)-N-(1-phenylbutyl)carbonimidoyl]propionamide Formula: C15H22N2OS MolecularWeight: 278.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)N=C(NC(=O)CC)SC

Isomeric SMILES

CCCC(C1=CC=CC=C1)N=C(NC(=O)CC)SC

InChI

InChI=1S/C15H22N2OS/c1-4-9-13(12-10-7-6-8-11-12)16-15(19-3)17-14(18)5-2/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,16,17,18)