2,4-bis(chloranyl)-6-(4-phenoxybutanethioylamino)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-6-(4-phenoxybutanethioylamino)benzoic acid Openeye Name: 2,4-dichloro-6-(4-phenoxybutanethioylamino)benzoic acid CAS Name: 2,4-dichloro-6-[(4-phenoxy-1-sulfanylidenebutyl)amino]benzoic acid IUPAC Name: 2,4-dichloro-6-(4-phenoxybutanethioylamino)benzoic acid Traditional Name: 2,4-dichloro-6-(4-phenoxybutanethioylamino)benzoic acid Formula: C17H15Cl2NO3S MolecularWeight: 384.2769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=S)NC2=CC(=CC(=C2C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=S)NC2=CC(=CC(=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C17H15Cl2NO3S/c18-11-9-13(19)16(17(21)22)14(10-11)20-15(24)7-4-8-23-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,20,24)(H,21,22)