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

Systemtic Name: ethyl 2-[4-[3-[3-phenylpropyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[allylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[oxo-(prop-2-enylamino)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[3-phenylpropyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[allylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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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)NCC=C

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)SC2=CC=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NCC=C

InChI

InChI=1S/C29H32N2O3S/c1-3-19-30-29(33)31(20-9-12-23-10-6-5-7-11-23)25-13-8-14-27(22-25)35-26-17-15-24(16-18-26)21-28(32)34-4-2/h3,5-8,10-11,13-18,22H,1,4,9,12,19-21H2,2H3,(H,30,33)