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

Systemtic Name: 3-[(4-ethylphenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-ethylbenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-ethylbenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-ethylbenzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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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)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C18H18N2O3S/c1-3-12-5-8-13(9-6-12)16(21)20-18(24)19-15-10-14(17(22)23)7-4-11(15)2/h4-10H,3H2,1-2H3,(H,22,23)(H2,19,20,21,24)