ethyl 4-[(2-hexoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-hexoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-hexoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-hexoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-hexoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H28N2O4S/c1-3-5-6-9-16-29-20-11-8-7-10-19(20)21(26)25-23(30)24-18-14-12-17(13-15-18)22(27)28-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H2,24,25,26,30)