tert-butyl N-[4-[[3-(isoquinolin-3-ylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[[3-(isoquinolin-3-ylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[[3-(3-isoquinolylcarbamoyl)-2-pyridyl]sulfanylmethyl]-2-pyridyl]carbamate CAS Name: N-[4-[[[3-[(3-isoquinolinylamino)-oxomethyl]-2-pyridinyl]thio]methyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[3-(isoquinolin-3-ylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Traditional Name: N-[4-[[[3-(3-isoquinolylcarbamoyl)-2-pyridyl]thio]methyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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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)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C26H25N5O3S/c1-26(2,3)34-25(33)31-21-13-17(10-12-27-21)16-35-24-20(9-6-11-28-24)23(32)30-22-14-18-7-4-5-8-19(18)15-29-22/h4-15H,16H2,1-3H3,(H,27,31,33)(H,29,30,32)