methyl 4-[[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]methyl]benzenecarboximidothioate

Systemtic Name: methyl 4-[[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]methyl]benzenecarboximidothioate Openeye Name: methyl 4-[[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]methyl]benzenecarboximidothioate CAS Name: 4-[[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]methyl]benzenecarboximidothioic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]benzenecarboximidothioate Traditional Name: 4-[[[(2S)-2-amino-4-(methylthio)butanoyl]amino]methyl]benzenecarboximidothioic acid methyl ester Formula: C14H21N3OS2 MolecularWeight: 311.46604

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)C(=N)SC)N

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=C(C=C1)C(=N)SC)N

InChI

InChI=1S/C14H21N3OS2/c1-19-8-7-12(15)14(18)17-9-10-3-5-11(6-4-10)13(16)20-2/h3-6,12,16H,7-9,15H2,1-2H3,(H,17,18)/t12-/m0/s1