S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 1-azanylcyclohexane-1-carbothioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 1-azanylcyclohexane-1-carbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 1-aminocyclohexanecarbothioate CAS Name: 1-amino-1-cyclohexanecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 1-aminocyclohexane-1-carbothioate Traditional Name: 1-aminocyclohexanecarbothioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H38N2O2S MolecularWeight: 430.64642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3(CCCCC3)N

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3(CCCCC3)N

InChI

InChI=1S/C25H38N2O2S/c1-19(2)13-18-24(14-7-3-8-15-24)22(28)27-20-11-5-6-12-21(20)30-23(29)25(26)16-9-4-10-17-25/h5-6,11-12,19H,3-4,7-10,13-18,26H2,1-2H3,(H,27,28)