4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(6-pyrrolidin-1-yl-3-pyridyl)butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-(6-pyrrolidino-3-pyridyl)butyramide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3S/c1-30-14-11-19(25-21(27)16-29-18-7-3-2-4-8-18)22(28)24-17-9-10-20(23-15-17)26-12-5-6-13-26/h2-4,7-10,15,19H,5-6,11-14,16H2,1H3,(H,24,28)(H,25,27)