ethyl 2-[4-[3-[naphthalen-2-ylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[naphthalen-2-ylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[2-naphthylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[(2-naphthalenylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[naphthalen-2-ylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[2-naphthylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C36H34N2O3S MolecularWeight: 574.73176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)SC2=CC=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)SC2=CC=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C36H34N2O3S/c1-2-41-35(39)24-28-17-21-33(22-18-28)42-34-16-8-15-32(26-34)38(23-9-12-27-10-4-3-5-11-27)36(40)37-31-20-19-29-13-6-7-14-30(29)25-31/h3-8,10-11,13-22,25-26H,2,9,12,23-24H2,1H3,(H,37,40)