S-[2-[[1-(3-methylbutyl)cyclopentyl]carbonylamino]phenyl] 2-phenylethanethioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclopentyl]carbonylamino]phenyl] 2-phenylethanethioate Openeye Name: S-[2-[(1-isopentylcyclopentanecarbonyl)amino]phenyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[2-[[[1-(3-methylbutyl)cyclopentyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclopentanecarbonyl]amino]phenyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[2-[(1-isoamylcyclopentanecarbonyl)amino]phenyl] ester Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCC1)C(=O)NC2=CC=CC=C2SC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(CCCC1)C(=O)NC2=CC=CC=C2SC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO2S/c1-19(2)14-17-25(15-8-9-16-25)24(28)26-21-12-6-7-13-22(21)29-23(27)18-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3,(H,26,28)