ethyl 2-[(4-methylsulfanylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-methylsulfanylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoate CAS Name: 2-[[[4-(methylthio)anilino]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[[4-(methylthio)phenyl]carbamoylamino]propionic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H24N2O3S2/c1-3-25-19(23)18(14-27-13-15-7-5-4-6-8-15)22-20(24)21-16-9-11-17(26-2)12-10-16/h4-12,18H,3,13-14H2,1-2H3,(H2,21,22,24)