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

Systemtic Name: 4-[(4-butoxyphenyl)carbamothioylamino]benzenesulfonic acid Openeye Name: 4-[(4-butoxyphenyl)carbamothioylamino]benzenesulfonic acid CAS Name: 4-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(4-butoxyphenyl)carbamothioylamino]benzenesulfonic acid Traditional Name: 4-[(4-butoxyphenyl)thiocarbamoylamino]besylic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C17H20N2O4S2/c1-2-3-12-23-15-8-4-13(5-9-15)18-17(24)19-14-6-10-16(11-7-14)25(20,21)22/h4-11H,2-3,12H2,1H3,(H2,18,19,24)(H,20,21,22)