methyl 6-[(3-sulfamoylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-sulfamoylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-sulfamoylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3-sulfamoylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-sulfamoylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-sulfamoylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C14H21N3O4S2/c1-21-13(18)8-3-2-4-9-16-14(22)17-11-6-5-7-12(10-11)23(15,19)20/h5-7,10H,2-4,8-9H2,1H3,(H2,15,19,20)(H2,16,17,22)