ethyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[4-[butoxy(oxo)methyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-butoxycarbonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-butoxycarbonylphenyl)thiocarbamoylamino]benzoic acid ethyl 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)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

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

InChI

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