5-[(4-butoxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoate

Systemtic Name: 5-[(4-butoxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoate Openeye Name: 5-[(4-butoxybenzoyl)carbamothioylamino]-2-chloro-benzoate CAS Name: 5-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoate IUPAC Name: 5-[(4-butoxybenzoyl)carbamothioylamino]-2-chlorobenzoate Traditional Name: 5-[(4-butoxybenzoyl)thiocarbamoylamino]-2-chloro-benzoate Formula: C19H18ClN2O4S- MolecularWeight: 405.87522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-2-3-10-26-14-7-4-12(5-8-14)17(23)22-19(27)21-13-6-9-16(20)15(11-13)18(24)25/h4-9,11H,2-3,10H2,1H3,(H,24,25)(H2,21,22,23,27)/p-1