4-[(4-pentoxyphenyl)carbamothioylamino]benzenesulfonic acid

Systemtic Name: 4-[(4-pentoxyphenyl)carbamothioylamino]benzenesulfonic acid Openeye Name: 4-[(4-pentoxyphenyl)carbamothioylamino]benzenesulfonic acid CAS Name: 4-[[(4-pentoxyanilino)-sulfanylidenemethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(4-pentoxyphenyl)carbamothioylamino]benzenesulfonic acid Traditional Name: 4-[(4-amoxyphenyl)thiocarbamoylamino]besylic acid Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C18H22N2O4S2/c1-2-3-4-13-24-16-9-5-14(6-10-16)19-18(25)20-15-7-11-17(12-8-15)26(21,22)23/h5-12H,2-4,13H2,1H3,(H2,19,20,25)(H,21,22,23)