tert-butyl N-[4-[[3-(1-adamantylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[[3-(1-adamantylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[[3-(1-adamantylcarbamoyl)-2-pyridyl]sulfanylmethyl]-2-pyridyl]carbamate CAS Name: N-[4-[[[3-[(1-adamantylamino)-oxomethyl]-2-pyridinyl]thio]methyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[3-(1-adamantylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Traditional Name: N-[4-[[[3-(1-adamantylcarbamoyl)-2-pyridyl]thio]methyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H34N4O3S/c1-26(2,3)34-25(33)30-22-12-17(6-8-28-22)16-35-24-21(5-4-7-29-24)23(32)31-27-13-18-9-19(14-27)11-20(10-18)15-27/h4-8,12,18-20H,9-11,13-16H2,1-3H3,(H,31,32)(H,28,30,33)