ethyl 6-[2-[(4-aminophenyl)carbonyl-methyl-amino]phenyl]sulfanylhexanoate

Systemtic Name: ethyl 6-[2-[(4-aminophenyl)carbonyl-methyl-amino]phenyl]sulfanylhexanoate Openeye Name: ethyl 6-[2-[(4-aminobenzoyl)-methyl-amino]phenyl]sulfanylhexanoate CAS Name: 6-[[2-[[(4-aminophenyl)-oxomethyl]-methylamino]phenyl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[(4-aminobenzoyl)-methylamino]phenyl]sulfanylhexanoate Traditional Name: 6-[[2-[(4-aminobenzoyl)-methyl-amino]phenyl]thio]hexanoic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCOC(=O)CCCCCSC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C22H28N2O3S/c1-3-27-21(25)11-5-4-8-16-28-20-10-7-6-9-19(20)24(2)22(26)17-12-14-18(23)15-13-17/h6-7,9-10,12-15H,3-5,8,11,16,23H2,1-2H3