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

Systemtic Name: ethyl 2-[4-[3-[butyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[allylcarbamoyl(butyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[butyl-[oxo-(prop-2-enylamino)methyl]amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[butyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[allylcarbamoyl(butyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NCC=C

Isomeric SMILES

CCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NCC=C

InChI

InChI=1S/C24H30N2O3S/c1-4-7-16-26(24(28)25-15-5-2)20-9-8-10-22(18-20)30-21-13-11-19(12-14-21)17-23(27)29-6-3/h5,8-14,18H,2,4,6-7,15-17H2,1,3H3,(H,25,28)