butyl 4-[(3-ethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-ethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3-ethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-ethoxybenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC

InChI

InChI=1S/C21H24N2O4S/c1-3-5-13-27-20(25)15-9-11-17(12-10-15)22-21(28)23-19(24)16-7-6-8-18(14-16)26-4-2/h6-12,14H,3-5,13H2,1-2H3,(H2,22,23,24,28)