methyl 6-[(2,3-dimethyl-5-sulfamoyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2,3-dimethyl-5-sulfamoyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,3-dimethyl-5-sulfamoyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2,3-dimethyl-5-sulfamoylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,3-dimethyl-5-sulfamoylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2,3-dimethyl-5-sulfamoyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC(=S)NCCCCCC(=O)OC)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=S)NCCCCCC(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C16H25N3O4S2/c1-11-9-13(25(17,21)22)10-14(12(11)2)19-16(24)18-8-6-4-5-7-15(20)23-3/h9-10H,4-8H2,1-3H3,(H2,17,21,22)(H2,18,19,24)