ethyl 2-[4-[3-[pentylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[pentylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[pentylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[oxo-(pentylamino)methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[pentylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[amylcarbamoyl(phenethyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)OCC

Isomeric SMILES

CCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)OCC

InChI

InChI=1S/C30H36N2O3S/c1-3-5-9-20-31-30(34)32(21-19-24-11-7-6-8-12-24)26-13-10-14-28(23-26)36-27-17-15-25(16-18-27)22-29(33)35-4-2/h6-8,10-18,23H,3-5,9,19-22H2,1-2H3,(H,31,34)