2-[4-[3-[(4-butoxyphenyl)carbamoyl-heptyl-amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[(4-butoxyphenyl)carbamoyl-heptyl-amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[(4-butoxyphenyl)carbamoyl-heptyl-amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[(4-butoxyanilino)-oxomethyl]-heptylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[(4-butoxyphenyl)carbamoyl-heptylamino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[(4-butoxyphenyl)carbamoyl-heptyl-amino]phenyl]thio]phenyl]acetic acid Formula: C32H40N2O4S MolecularWeight: 548.736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NC3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NC3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C32H40N2O4S/c1-3-5-7-8-9-21-34(32(37)33-26-15-17-28(18-16-26)38-22-6-4-2)27-11-10-12-30(24-27)39-29-19-13-25(14-20-29)23-31(35)36/h10-20,24H,3-9,21-23H2,1-2H3,(H,33,37)(H,35,36)