4-[(4-butoxyphenyl)carbamothioylamino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[(4-butoxyphenyl)carbamothioylamino]naphthalene-1-sulfonic acid Openeye Name: 4-[(4-butoxyphenyl)carbamothioylamino]naphthalene-1-sulfonic acid CAS Name: 4-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-[(4-butoxyphenyl)carbamothioylamino]naphthalene-1-sulfonic acid Traditional Name: 4-[(4-butoxyphenyl)thiocarbamoylamino]naphthalene-1-sulfonic acid Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C21H22N2O4S2/c1-2-3-14-27-16-10-8-15(9-11-16)22-21(28)23-19-12-13-20(29(24,25)26)18-7-5-4-6-17(18)19/h4-13H,2-3,14H2,1H3,(H2,22,23,28)(H,24,25,26)