ethyl 4-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-pentoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-pentoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-amoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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