4-[[(4-ethoxycarbonylphenyl)carbamothioylamino]methyl]benzoate

Systemtic Name: 4-[[(4-ethoxycarbonylphenyl)carbamothioylamino]methyl]benzoate Openeye Name: 4-[[(4-ethoxycarbonylphenyl)carbamothioylamino]methyl]benzoate CAS Name: 4-[[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-ethoxycarbonylphenyl)carbamothioylamino]methyl]benzoate Traditional Name: 4-[[(4-carbethoxyphenyl)thiocarbamoylamino]methyl]benzoate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-2-24-17(23)14-7-9-15(10-8-14)20-18(25)19-11-12-3-5-13(6-4-12)16(21)22/h3-10H,2,11H2,1H3,(H,21,22)(H2,19,20,25)/p-1