N,N-diethyl-3-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide

Systemtic Name: N,N-diethyl-3-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide Openeye Name: N,N-diethyl-3-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide CAS Name: N,N-diethyl-3-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O4S/c1-4-27(5-2)24(30)18-10-9-11-19(16-18)25-23(29)21(14-15-32-3)26-22(28)17-31-20-12-7-6-8-13-20/h6-13,16,21H,4-5,14-15,17H2,1-3H3,(H,25,29)(H,26,28)