methyl N'-[[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]amino]carbamimidothioate

Systemtic Name: methyl N'-[[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]amino]carbamimidothioate Openeye Name: 3-[(2Z)-2-[amino(methylsulfanyl)methylene]hydrazino]-N-(2,6-dimethylphenyl)propanamide CAS Name: N'-[[3-(2,6-dimethylanilino)-3-oxopropyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[3-(2,6-dimethylanilino)-3-oxopropyl]amino]carbamimidothioate Traditional Name: 3-[(N'Z)-N'-[amino-(methylthio)methylene]hydrazino]-N-(2,6-dimethylphenyl)propionamide Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCNN=C(N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCN/N=C(/N)\SC

InChI

InChI=1S/C13H20N4OS/c1-9-5-4-6-10(2)12(9)16-11(18)7-8-15-17-13(14)19-3/h4-6,15H,7-8H2,1-3H3,(H2,14,17)(H,16,18)