3-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-ethyl-3-methoxycarbonyl-2-thienyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[(5-ethyl-3-methoxycarbonyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbomethoxy-5-ethyl-2-thienyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C)C(=O)OC

InChI

InChI=1S/C17H18N2O4S2/c1-4-11-8-12(16(22)23-3)14(25-11)19-17(24)18-13-7-10(15(20)21)6-5-9(13)2/h5-8H,4H2,1-3H3,(H,20,21)(H2,18,19,24)