4-[(4-butoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-[(4-butoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-[(4-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[(4-butoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-butoxybenzoyl)thiocarbamoylamino]benzoate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c1-2-3-12-25-16-10-6-13(7-11-16)17(22)21-19(26)20-15-8-4-14(5-9-15)18(23)24/h4-11H,2-3,12H2,1H3,(H,23,24)(H2,20,21,22,26)/p-1