5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxy-benzenesulfonic acid

Systemtic Name: 5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxy-benzenesulfonic acid Openeye Name: 5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxy-benzenesulfonic acid CAS Name: 5-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-2-methoxybenzenesulfonic acid IUPAC Name: 5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxybenzenesulfonic acid Traditional Name: 5-[(4-butoxyphenyl)thiocarbamoylamino]-2-methoxy-besylic acid Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S2/c1-3-4-11-25-15-8-5-13(6-9-15)19-18(26)20-14-7-10-16(24-2)17(12-14)27(21,22)23/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,26)(H,21,22,23)