methyl 6-[(2-phenylsulfanylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-phenylsulfanylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-phenylsulfanylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-phenylsulfanylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[[2-(phenylthio)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1SC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O2S2/c1-24-19(23)14-6-3-9-15-21-20(25)22-17-12-7-8-13-18(17)26-16-10-4-2-5-11-16/h2,4-5,7-8,10-13H,3,6,9,14-15H2,1H3,(H2,21,22,25)