ethyl 2-[3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[[butylamino(oxo)methyl]-heptylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[butylcarbamoyl(heptyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NCCCC

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NCCCC

InChI

InChI=1S/C28H40N2O3S/c1-4-7-9-10-11-19-30(28(32)29-18-8-5-2)24-15-13-17-26(22-24)34-25-16-12-14-23(20-25)21-27(31)33-6-3/h12-17,20,22H,4-11,18-19,21H2,1-3H3,(H,29,32)