[3-[4-(3-phenylpropylamino)phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-(3-phenylpropylamino)phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-(3-phenylpropylamino)phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-(3-phenylpropylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[4-(3-phenylpropylamino)phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-(3-phenylpropylamino)phenyl]thio]phenyl] ester Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO2S/c1-2-8-25(27)28-22-12-6-13-24(19-22)29-23-16-14-21(15-17-23)26-18-7-11-20-9-4-3-5-10-20/h3-6,9-10,12-17,19,26H,2,7-8,11,18H2,1H3