methyl 3-(4-aminophenyl)-2-[[1-(4-methylsulfonylbutyl)cyclobutyl]carbothioylamino]propanoate

Systemtic Name: methyl 3-(4-aminophenyl)-2-[[1-(4-methylsulfonylbutyl)cyclobutyl]carbothioylamino]propanoate Openeye Name: methyl 3-(4-aminophenyl)-2-[[1-(4-methylsulfonylbutyl)cyclobutanecarbothioyl]amino]propanoate CAS Name: 3-(4-aminophenyl)-2-[[[1-(4-methylsulfonylbutyl)cyclobutyl]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-aminophenyl)-2-[[1-(4-methylsulfonylbutyl)cyclobutanecarbothioyl]amino]propanoate Traditional Name: 3-(4-aminophenyl)-2-[[1-(4-mesylbutyl)cyclobutanecarbothioyl]amino]propionic acid methyl ester Formula: C20H30N2O4S2 MolecularWeight: 426.5932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N)NC(=S)C2(CCC2)CCCCS(=O)(=O)C

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)N)NC(=S)C2(CCC2)CCCCS(=O)(=O)C

InChI

InChI=1S/C20H30N2O4S2/c1-26-18(23)17(14-15-6-8-16(21)9-7-15)22-19(27)20(11-5-12-20)10-3-4-13-28(2,24)25/h6-9,17H,3-5,10-14,21H2,1-2H3,(H,22,27)