3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(4-hexoxybenzoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-3-4-5-6-14-28-17-12-10-16(11-13-17)20(25)24-22(29)23-19-9-7-8-18(15(19)2)21(26)27/h7-13H,3-6,14H2,1-2H3,(H,26,27)(H2,23,24,25,29)