4-[(3-bromophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3-bromophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3-bromophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3-bromophenyl)thio]methyl]-5-(dipentylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3-bromophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxopentanoic acid Traditional Name: 4-[[(3-bromophenyl)thio]methyl]-5-(diamylamino)-5-keto-valeric acid Formula: C22H34BrNO3S MolecularWeight: 472.47926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC(=CC=C1)Br

InChI

InChI=1S/C22H34BrNO3S/c1-3-5-7-14-24(15-8-6-4-2)22(27)18(12-13-21(25)26)17-28-20-11-9-10-19(23)16-20/h9-11,16,18H,3-8,12-15,17H2,1-2H3,(H,25,26)