4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(1-piperidylmethyl)phenyl]methyl]butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[[2-(1-piperidinylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-[2-(piperidinomethyl)benzyl]butyramide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=C1CN2CCCCC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=CC=C1CN2CCCCC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3S/c1-33-17-14-24(28-25(30)20-32-23-12-4-2-5-13-23)26(31)27-18-21-10-6-7-11-22(21)19-29-15-8-3-9-16-29/h2,4-7,10-13,24H,3,8-9,14-20H2,1H3,(H,27,31)(H,28,30)