7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[(4-pentoxyanilino)-sulfanylidenemethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[(4-amoxyphenyl)thiocarbamoylamino]naphthalene-1,3-disulfonic acid Formula: C22H24N2O7S3 MolecularWeight: 524.63016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H24N2O7S3/c1-2-3-4-11-31-18-9-7-16(8-10-18)23-22(32)24-17-6-5-15-12-19(33(25,26)27)14-21(20(15)13-17)34(28,29)30/h5-10,12-14H,2-4,11H2,1H3,(H2,23,24,32)(H,25,26,27)(H,28,29,30)