(2S)-2-(phenylcarbamothioylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2S)-2-(phenylcarbamothioylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2S)-3-benzylsulfanyl-2-(phenylcarbamothioylamino)propanoate CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2S)-3-benzylsulfanyl-2-(phenylcarbamothioylamino)propanoate Traditional Name: (2S)-3-(benzylthio)-2-(phenylthiocarbamoylamino)propionate Formula: C17H17N2O2S2- MolecularWeight: 345.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@H](C(=O)[O-])NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S2/c20-16(21)15(12-23-11-13-7-3-1-4-8-13)19-17(22)18-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,20,21)(H2,18,19,22)/p-1/t15-/m1/s1