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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C19H21N3O5S2/c1-10-13(18(26)27-4)15(29-14(10)16(23)22(2)3)21-19(28)20-9-11-5-7-12(8-6-11)17(24)25/h5-8H,9H2,1-4H3,(H,24,25)(H2,20,21,28)