2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]ethanoate

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]ethanoate Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]acetate CAS Name: 2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]acetate IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]acetate Formula: C12H8ClN2O3S2- MolecularWeight: 327.78652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NCC(=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NCC(=O)[O-])Cl

InChI

InChI=1S/C12H9ClN2O3S2/c13-9-6-3-1-2-4-7(6)20-10(9)11(18)15-12(19)14-5-8(16)17/h1-4H,5H2,(H,16,17)(H2,14,15,18,19)/p-1