2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C22H25N5O3S/c1-15-11-20(26-30-15)25-22(29)14-31-13-21(28)24-18-5-6-19(27-9-3-2-4-10-27)16-7-8-23-12-17(16)18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,24,28)(H,25,26,29)