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

Systemtic Name: 4-[[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[[5-[diethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[3-carbomethoxy-5-(diethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]methyl]benzoic acid Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)OC)C

InChI

InChI=1S/C21H25N3O5S2/c1-5-24(6-2)18(25)16-12(3)15(20(28)29-4)17(31-16)23-21(30)22-11-13-7-9-14(10-8-13)19(26)27/h7-10H,5-6,11H2,1-4H3,(H,26,27)(H2,22,23,30)