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

Systemtic Name: N-methyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide Openeye Name: N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[[4-(1-piperidyl)phenyl]methyl]butanamide CAS Name: N-methyl-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[[4-(1-piperidinyl)phenyl]methyl]butanamide IUPAC Name: N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[(4-piperidin-1-ylphenyl)methyl]butanamide Traditional Name: N-methyl-4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-(4-piperidinobenzyl)butyramide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3S/c1-28(19-21-11-13-22(14-12-21)29-16-7-4-8-17-29)26(31)24(15-18-33-2)27-25(30)20-32-23-9-5-3-6-10-23/h3,5-6,9-14,24H,4,7-8,15-20H2,1-2H3,(H,27,30)