ethyl 4-[(3-butoxyphenyl)carbonylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

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