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

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

Isomeric SMILES

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

InChI

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