4-chloranyl-2-ethyl-6-(5-phenylpentanethioylamino)benzoic acid

Systemtic Name: 4-chloranyl-2-ethyl-6-(5-phenylpentanethioylamino)benzoic acid Openeye Name: 4-chloro-2-ethyl-6-(5-phenylpentanethioylamino)benzoic acid CAS Name: 4-chloro-2-ethyl-6-[(5-phenyl-1-sulfanylidenepentyl)amino]benzoic acid IUPAC Name: 4-chloro-2-ethyl-6-(5-phenylpentanethioylamino)benzoic acid Traditional Name: 4-chloro-2-ethyl-6-(5-phenylpentanethioylamino)benzoic acid Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1C(=O)O)NC(=S)CCCCC2=CC=CC=C2)Cl

Isomeric SMILES

CCC1=CC(=CC(=C1C(=O)O)NC(=S)CCCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C20H22ClNO2S/c1-2-15-12-16(21)13-17(19(15)20(23)24)22-18(25)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,22,25)(H,23,24)