5-[2-(carbamothioylamino)ethanoylamino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[2-(carbamothioylamino)ethanoylamino]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[2-(carbamothioylamino)acetyl]amino]benzothiophene-2-carboxylic acid CAS Name: 5-[[2-(carbamothioylamino)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[2-(carbamothioylamino)acetyl]amino]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[(2-thioureidoacetyl)amino]benzothiophene-2-carboxylic acid Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CNC(=S)N)C=C(S2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CNC(=S)N)C=C(S2)C(=O)O

InChI

InChI=1S/C12H11N3O3S2/c13-12(19)14-5-10(16)15-7-1-2-8-6(3-7)4-9(20-8)11(17)18/h1-4H,5H2,(H,15,16)(H,17,18)(H3,13,14,19)