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

Systemtic Name: N-ethyl-3-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide Openeye Name: N-ethyl-3-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide CAS Name: N-ethyl-3-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzamide IUPAC Name: N-ethyl-3-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Traditional Name: N-ethyl-3-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-3-23-21(27)16-8-7-9-17(14-16)24-22(28)19(12-13-30-2)25-20(26)15-29-18-10-5-4-6-11-18/h4-11,14,19H,3,12-13,15H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)