tert-butyl N-[2-[methyl(propanoyl)carbamothioyl]-6-phenyl-2-pyridin-3-yl-cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[2-[methyl(propanoyl)carbamothioyl]-6-phenyl-2-pyridin-3-yl-cyclohexyl]carbamate Openeye Name: tert-butyl N-[2-[methyl(propanoyl)carbamothioyl]-6-phenyl-2-(3-pyridyl)cyclohexyl]carbamate CAS Name: N-[2-[[methyl(1-oxopropyl)amino]-sulfanylidenemethyl]-6-phenyl-2-(3-pyridinyl)cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[methyl(propanoyl)carbamothioyl]-6-phenyl-2-pyridin-3-ylcyclohexyl]carbamate Traditional Name: N-[2-[methyl(propionyl)thiocarbamoyl]-6-phenyl-2-(3-pyridyl)cyclohexyl]carbamic acid tert-butyl ester Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)C(=S)C1(CCCC(C1NC(=O)OC(C)(C)C)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCC(=O)N(C)C(=S)C1(CCCC(C1NC(=O)OC(C)(C)C)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C27H35N3O3S/c1-6-22(31)30(5)24(34)27(20-14-11-17-28-18-20)16-10-15-21(19-12-8-7-9-13-19)23(27)29-25(32)33-26(2,3)4/h7-9,11-14,17-18,21,23H,6,10,15-16H2,1-5H3,(H,29,32)