2,4-bis(chloranyl)-6-[2-(3-pyrimidin-5-ylpropylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-6-[2-(3-pyrimidin-5-ylpropylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2,4-dichloro-6-[[2-(3-pyrimidin-5-ylpropylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2,4-dichloro-6-[[1-oxo-2-[3-(5-pyrimidinyl)propylthio]ethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-6-[[2-(3-pyrimidin-5-ylpropylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 2,4-dichloro-6-[[2-[3-(5-pyrimidyl)propylthio]acetyl]amino]benzoic acid Formula: C16H15Cl2N3O3S MolecularWeight: 400.2796

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)C(=O)O)NC(=O)CSCCCC2=CN=CN=C2)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)C(=O)O)NC(=O)CSCCCC2=CN=CN=C2)Cl

InChI

InChI=1S/C16H15Cl2N3O3S/c17-11-4-12(18)15(16(23)24)13(5-11)21-14(22)8-25-3-1-2-10-6-19-9-20-7-10/h4-7,9H,1-3,8H2,(H,21,22)(H,23,24)