4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[5-(1-piperidyl)-8-isoquinolyl]butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[5-(1-piperidinyl)-8-isoquinolinyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-(5-piperidino-8-isoquinolyl)butyramide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-35-17-13-24(29-26(32)19-34-20-8-4-2-5-9-20)27(33)30-23-10-11-25(31-15-6-3-7-16-31)21-12-14-28-18-22(21)23/h2,4-5,8-12,14,18,24H,3,6-7,13,15-17,19H2,1H3,(H,29,32)(H,30,33)