3-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoate

Systemtic Name: 3-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoate Openeye Name: 3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxy-benzoate CAS Name: 3-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoate IUPAC Name: 3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoate Traditional Name: 3-[(4-ethoxybenzoyl)thiocarbamoylamino]-4-methoxy-benzoate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

InChI

InChI=1S/C18H18N2O5S/c1-3-25-13-7-4-11(5-8-13)16(21)20-18(26)19-14-10-12(17(22)23)6-9-15(14)24-2/h4-10H,3H2,1-2H3,(H,22,23)(H2,19,20,21,26)/p-1