2-methoxyethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[4-(sec-butylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C18H27N3O6S2/c1-4-13(2)21-29(24,25)15-7-5-14(6-8-15)19-18(28)20-16(22)9-10-17(23)27-12-11-26-3/h5-8,13,21H,4,9-12H2,1-3H3,(H2,19,20,22,28)