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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SC2=CC=CC=C2NC(=O)C3(CCCC3)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)SC2=CC=CC=C2NC(=O)C3(CCCC3)CCC(C)C

InChI

InChI=1S/C25H31NO2S/c1-18(2)14-17-25(15-8-9-16-25)24(28)26-21-12-6-7-13-22(21)29-23(27)20-11-5-4-10-19(20)3/h4-7,10-13,18H,8-9,14-17H2,1-3H3,(H,26,28)