ethyl 2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C30H42N2O3S MolecularWeight: 510.73108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NC3CCCCC3

InChI

InChI=1S/C30H42N2O3S/c1-3-5-6-7-11-21-32(30(34)31-25-14-9-8-10-15-25)26-17-19-27(20-18-26)36-28-16-12-13-24(22-28)23-29(33)35-4-2/h12-13,16-20,22,25H,3-11,14-15,21,23H2,1-2H3,(H,31,34)