4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[1-(phenylmethyl)pyrrolidin-3-yl]butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[1-(phenylmethyl)pyrrolidin-3-yl]butanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[1-(phenylmethyl)-3-pyrrolidinyl]butanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCN(C1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1CCN(C1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S/c1-31-15-13-22(26-23(28)18-30-21-10-6-3-7-11-21)24(29)25-20-12-14-27(17-20)16-19-8-4-2-5-9-19/h2-11,20,22H,12-18H2,1H3,(H,25,29)(H,26,28)