4-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid Openeye Name: 4-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid CAS Name: 4-methyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid Traditional Name: 4-methyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]valeric acid Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C14H21N3O4S2/c1-9(2)7-12(13(18)19)17-14(22)16-8-10-3-5-11(6-4-10)23(15,20)21/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,15,20,21)(H2,16,17,22)