methyl 6-[(4-methyl-3-sulfamoyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-methyl-3-sulfamoyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-methyl-3-sulfamoyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-methyl-3-sulfamoylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-methyl-3-sulfamoylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-methyl-3-sulfamoyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H23N3O4S2 MolecularWeight: 373.49082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCCCCC(=O)OC)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCCCCC(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C15H23N3O4S2/c1-11-7-8-12(10-13(11)24(16,20)21)18-15(23)17-9-5-3-4-6-14(19)22-2/h7-8,10H,3-6,9H2,1-2H3,(H2,16,20,21)(H2,17,18,23)