ethyl 4-[[[4-[(4-ethoxyphenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[4-[(4-ethoxyphenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[4-[(4-ethoxyphenoxy)methyl]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H27N3O5S/c1-3-32-22-13-15-23(16-14-22)34-17-18-5-7-19(8-6-18)24(30)28-29-26(35)27-21-11-9-20(10-12-21)25(31)33-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,30)(H2,27,29,35)