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

Systemtic Name: tert-butyl N-[4-[[2-(isoquinolin-3-ylcarbamoyl)phenyl]sulfanylmethyl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[[2-(3-isoquinolylcarbamoyl)phenyl]sulfanylmethyl]-2-pyridyl]carbamate CAS Name: N-[4-[[[2-[(3-isoquinolinylamino)-oxomethyl]phenyl]thio]methyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[2-(isoquinolin-3-ylcarbamoyl)phenyl]sulfanylmethyl]pyridin-2-yl]carbamate Traditional Name: N-[4-[[[2-(3-isoquinolylcarbamoyl)phenyl]thio]methyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C27H26N4O3S/c1-27(2,3)34-26(33)31-23-14-18(12-13-28-23)17-35-22-11-7-6-10-21(22)25(32)30-24-15-19-8-4-5-9-20(19)16-29-24/h4-16H,17H2,1-3H3,(H,28,31,33)(H,29,30,32)