N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-isoquinolyl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-isoquinolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-isoquinolyl]thio]phenyl]acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=CC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=CC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

InChI

InChI=1S/C23H21N5OS/c1-14(29)24-17-8-10-18(11-9-17)30-22-12-16-4-2-3-5-19(16)23(26-22)25-21-13-20(27-28-21)15-6-7-15/h2-5,8-13,15H,6-7H2,1H3,(H,24,29)(H2,25,26,27,28)