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

Systemtic Name: ethyl 2-[3-[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[[butylamino(oxo)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)CC(=O)OCC

Isomeric SMILES

CCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)CC(=O)OCC

InChI

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