2-[4-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(5-benzyl-3-methoxycarbonyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[[3-methoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-benzyl-3-methoxycarbonylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(5-benzyl-3-carbomethoxy-2-thienyl)thiocarbamoylamino]phenyl]acetic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C22H20N2O4S2/c1-28-21(27)18-13-17(11-14-5-3-2-4-6-14)30-20(18)24-22(29)23-16-9-7-15(8-10-16)12-19(25)26/h2-10,13H,11-12H2,1H3,(H,25,26)(H2,23,24,29)