4-chloranyl-2-(4-phenylbutanethioylamino)benzoic acid

Systemtic Name: 4-chloranyl-2-(4-phenylbutanethioylamino)benzoic acid Openeye Name: 4-chloro-2-(4-phenylbutanethioylamino)benzoic acid CAS Name: 4-chloro-2-[(4-phenyl-1-sulfanylidenebutyl)amino]benzoic acid IUPAC Name: 4-chloro-2-(4-phenylbutanethioylamino)benzoic acid Traditional Name: 4-chloro-2-(4-phenylbutanethioylamino)benzoic acid Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=S)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=S)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C17H16ClNO2S/c18-13-9-10-14(17(20)21)15(11-13)19-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,19,22)(H,20,21)