methyl (2S)-2-[(5-azanylnaphthalen-1-yl)carbothioylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(5-azanylnaphthalen-1-yl)carbothioylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(5-aminonaphthalene-1-carbothioyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(5-amino-1-naphthalenyl)-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-aminonaphthalene-1-carbothioyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5-aminonaphthalene-1-carbothioyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=S)C1=CC=CC2=C1C=CC=C2N

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=S)C1=CC=CC2=C1C=CC=C2N

InChI

InChI=1S/C17H20N2O2S2/c1-21-17(20)15(9-10-23-2)19-16(22)13-7-3-6-12-11(13)5-4-8-14(12)18/h3-8,15H,9-10,18H2,1-2H3,(H,19,22)/t15-/m0/s1