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

Systemtic Name: ethyl 2-[4-[4-[(4-butoxyphenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[4-[(4-butoxyphenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[4-[[(4-butoxyanilino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-[(4-butoxyphenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[4-[(4-butoxyphenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C36H40N2O4S MolecularWeight: 596.7788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)CC(=O)OCC

InChI

InChI=1S/C36H40N2O4S/c1-3-5-26-42-32-19-15-30(16-20-32)37-36(40)38(25-9-12-28-10-7-6-8-11-28)31-17-23-34(24-18-31)43-33-21-13-29(14-22-33)27-35(39)41-4-2/h6-8,10-11,13-24H,3-5,9,12,25-27H2,1-2H3,(H,37,40)