methyl 6-[(4-sulfamoylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-sulfamoylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-sulfamoylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-sulfamoylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-sulfamoylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H21N3O4S2 MolecularWeight: 359.46424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S2/c1-21-13(18)5-3-2-4-10-16-14(22)17-11-6-8-12(9-7-11)23(15,19)20/h6-9H,2-5,10H2,1H3,(H2,15,19,20)(H2,16,17,22)