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

Systemtic Name: 3-[(4-ethylphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoate Openeye Name: 3-[(4-ethylbenzoyl)carbamothioylamino]-4-methoxy-benzoate CAS Name: 3-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoate IUPAC Name: 3-[(4-ethylbenzoyl)carbamothioylamino]-4-methoxybenzoate Traditional Name: 3-[(4-ethylbenzoyl)thiocarbamoylamino]-4-methoxy-benzoate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

InChI

InChI=1S/C18H18N2O4S/c1-3-11-4-6-12(7-5-11)16(21)20-18(25)19-14-10-13(17(22)23)8-9-15(14)24-2/h4-10H,3H2,1-2H3,(H,22,23)(H2,19,20,21,25)/p-1