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

Systemtic Name: 3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[5-[dimethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[3-carbomethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C19H21N3O5S2 MolecularWeight: 435.51714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C19H21N3O5S2/c1-9-6-7-11(17(24)25)8-12(9)20-19(28)21-15-13(18(26)27-5)10(2)14(29-15)16(23)22(3)4/h6-8H,1-5H3,(H,24,25)(H2,20,21,28)