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

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-carbethoxyphenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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