ethyl 2-[4-[3-[(4-butoxyphenyl)carbamoyl-butyl-amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[(4-butoxyphenyl)carbamoyl-butyl-amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[(4-butoxyphenyl)carbamoyl-butyl-amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[(4-butoxyanilino)-oxomethyl]-butylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[(4-butoxyphenyl)carbamoyl-butylamino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[(4-butoxyphenyl)carbamoyl-butyl-amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C31H38N2O4S MolecularWeight: 534.70942

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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)NC3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NC3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C31H38N2O4S/c1-4-7-20-33(31(35)32-25-14-16-27(17-15-25)37-21-8-5-2)26-10-9-11-29(23-26)38-28-18-12-24(13-19-28)22-30(34)36-6-3/h9-19,23H,4-8,20-22H2,1-3H3,(H,32,35)