2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-2-3-4-7-14-27-16-12-10-15(11-13-16)19(24)23-21(28)22-18-9-6-5-8-17(18)20(25)26/h5-6,8-13H,2-4,7,14H2,1H3,(H,25,26)(H2,22,23,24,28)