2-(dimethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(dimethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(dimethylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[dimethylamino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(dimethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(dimethylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CN(C)C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C12H16N2O2S2/c1-14(2)12(17)13-10-9(11(15)16)7-5-3-4-6-8(7)18-10/h3-6H2,1-2H3,(H,13,17)(H,15,16)