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

Systemtic Name: 3-[(4-ethoxyphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-ethoxyphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-ethoxyphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-(p-phenetylthiocarbamoylamino)benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-3-22-14-8-6-13(7-9-14)18-17(23)19-15-10-12(16(20)21)5-4-11(15)2/h4-10H,3H2,1-2H3,(H,20,21)(H2,18,19,23)