4-chloranyl-2-[(E)-hex-1-enyl]-6-(5-phenylpentanethioylamino)benzoic acid

Systemtic Name: 4-chloranyl-2-[(E)-hex-1-enyl]-6-(5-phenylpentanethioylamino)benzoic acid Openeye Name: 4-chloro-2-[(E)-hex-1-enyl]-6-(5-phenylpentanethioylamino)benzoic acid CAS Name: 4-chloro-2-[(E)-hex-1-enyl]-6-[(5-phenyl-1-sulfanylidenepentyl)amino]benzoic acid IUPAC Name: 4-chloro-2-[(E)-hex-1-enyl]-6-(5-phenylpentanethioylamino)benzoic acid Traditional Name: 4-chloro-2-[(E)-hex-1-enyl]-6-(5-phenylpentanethioylamino)benzoic acid Formula: C24H28ClNO2S MolecularWeight: 430.00262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1=CC(=CC(=C1C(=O)O)NC(=S)CCCCC2=CC=CC=C2)Cl

Isomeric SMILES

CCCC/C=C/C1=CC(=CC(=C1C(=O)O)NC(=S)CCCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C24H28ClNO2S/c1-2-3-4-8-14-19-16-20(25)17-21(23(19)24(27)28)26-22(29)15-10-9-13-18-11-6-5-7-12-18/h5-8,11-12,14,16-17H,2-4,9-10,13,15H2,1H3,(H,26,29)(H,27,28)/b14-8+