3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

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