S-[3-(1-azanylcyclopentyl)carbonyl-2-hexanoyl-4-phenyl-phenyl] ethanethioate

Systemtic Name: S-[3-(1-azanylcyclopentyl)carbonyl-2-hexanoyl-4-phenyl-phenyl] ethanethioate Openeye Name: S-[3-(1-aminocyclopentanecarbonyl)-2-hexanoyl-4-phenyl-phenyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(1-aminocyclopentyl)-oxomethyl]-2-(1-oxohexyl)-4-phenylphenyl] ester IUPAC Name: S-[3-(1-aminocyclopentanecarbonyl)-2-hexanoyl-4-phenylphenyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(1-aminocyclopentanecarbonyl)-2-caproyl-4-phenyl-phenyl] ester Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=CC(=C1C(=O)C2(CCCC2)N)C3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CCCCCC(=O)C1=C(C=CC(=C1C(=O)C2(CCCC2)N)C3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C26H31NO3S/c1-3-4-6-13-21(29)24-22(31-18(2)28)15-14-20(19-11-7-5-8-12-19)23(24)25(30)26(27)16-9-10-17-26/h5,7-8,11-12,14-15H,3-4,6,9-10,13,16-17,27H2,1-2H3