2,4-bis(chloranyl)-6-(5-thiophen-2-ylpentanethioylamino)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-6-(5-thiophen-2-ylpentanethioylamino)benzoic acid Openeye Name: 2,4-dichloro-6-[5-(2-thienyl)pentanethioylamino]benzoic acid CAS Name: 2,4-dichloro-6-[(1-sulfanylidene-5-thiophen-2-ylpentyl)amino]benzoic acid IUPAC Name: 2,4-dichloro-6-(5-thiophen-2-ylpentanethioylamino)benzoic acid Traditional Name: 2,4-dichloro-6-[5-(2-thienyl)pentanethioylamino]benzoic acid Formula: C16H15Cl2NO2S2 MolecularWeight: 388.3318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCCC(=S)NC2=CC(=CC(=C2C(=O)O)Cl)Cl

Isomeric SMILES

C1=CSC(=C1)CCCCC(=S)NC2=CC(=CC(=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C16H15Cl2NO2S2/c17-10-8-12(18)15(16(20)21)13(9-10)19-14(22)6-2-1-4-11-5-3-7-23-11/h3,5,7-9H,1-2,4,6H2,(H,19,22)(H,20,21)