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

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-[4-(piperidine-1-carbonyl)benzyl]butyramide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4S/c1-34-17-14-23(28-24(30)19-33-22-8-4-2-5-9-22)25(31)27-18-20-10-12-21(13-11-20)26(32)29-15-6-3-7-16-29/h2,4-5,8-13,23H,3,6-7,14-19H2,1H3,(H,27,31)(H,28,30)