3-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-3-25-15-7-6-11(8-13(15)19)16(22)21-18(26)20-14-9-12(17(23)24)5-4-10(14)2/h4-9H,3H2,1-2H3,(H,23,24)(H2,20,21,22,26)