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

Systemtic Name: ethyl 2-[4-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[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(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

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