4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(4-pyrrolidin-1-ylcarbonylphenyl)butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(4-pyrrolidin-1-ylcarbonylphenyl)butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]butyramide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-32-16-13-21(26-22(28)17-31-20-7-3-2-4-8-20)23(29)25-19-11-9-18(10-12-19)24(30)27-14-5-6-15-27/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,25,29)(H,26,28)