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

Systemtic Name: methyl 3-(4-aminophenyl)-2-[[1-(3-methylsulfonylpropyl)cyclobutyl]carbothioylamino]propanoate Openeye Name: methyl 3-(4-aminophenyl)-2-[[1-(3-methylsulfonylpropyl)cyclobutanecarbothioyl]amino]propanoate CAS Name: 3-(4-aminophenyl)-2-[[[1-(3-methylsulfonylpropyl)cyclobutyl]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-aminophenyl)-2-[[1-(3-methylsulfonylpropyl)cyclobutanecarbothioyl]amino]propanoate Traditional Name: 3-(4-aminophenyl)-2-[[1-(3-mesylpropyl)cyclobutanecarbothioyl]amino]propionic acid methyl ester Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S2/c1-25-17(22)16(13-14-5-7-15(20)8-6-14)21-18(26)19(9-3-10-19)11-4-12-27(2,23)24/h5-8,16H,3-4,9-13,20H2,1-2H3,(H,21,26)