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

Systemtic Name: ethyl 4-[(2-butoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-butoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-butoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

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