tert-butyl N-[1-[methyl-(1-pyridin-3-ylcyclohexyl)carbothioyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[methyl-(1-pyridin-3-ylcyclohexyl)carbothioyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[methyl-[1-(3-pyridyl)cyclohexanecarbothioyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[methyl-[[1-(3-pyridinyl)cyclohexyl]-sulfanylidenemethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[methyl-(1-pyridin-3-ylcyclohexanecarbothioyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[methyl-[1-(3-pyridyl)cyclohexanecarbothioyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(=S)C2(CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(=S)C2(CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C27H35N3O3S/c1-26(2,3)33-25(32)29-22(18-20-12-7-5-8-13-20)23(31)30(4)24(34)27(15-9-6-10-16-27)21-14-11-17-28-19-21/h5,7-8,11-14,17,19,22H,6,9-10,15-16,18H2,1-4H3,(H,29,32)