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

Systemtic Name: tert-butyl N-[4-[[3-(isoquinolin-3-ylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-[[3-(3-isoquinolylcarbamoyl)-2-pyridyl]sulfanylmethyl]-2-pyridyl]-N-methyl-carbamate CAS Name: N-[4-[[[3-[(3-isoquinolinylamino)-oxomethyl]-2-pyridinyl]thio]methyl]-2-pyridinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[3-(isoquinolin-3-ylcarbamoyl)pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-methylcarbamate Traditional Name: N-[4-[[[3-(3-isoquinolylcarbamoyl)-2-pyridyl]thio]methyl]-2-pyridyl]-N-methyl-carbamic acid tert-butyl ester Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O3S/c1-27(2,3)35-26(34)32(4)23-14-18(11-13-28-23)17-36-25-21(10-7-12-29-25)24(33)31-22-15-19-8-5-6-9-20(19)16-30-22/h5-16H,17H2,1-4H3,(H,30,31,33)