N-[3-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]phenyl]cyclopropanecarboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)NC(=O)C2CC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)NC(=O)C2CC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-31-13-12-20(26-21(27)15-30-19-8-3-2-4-9-19)23(29)25-18-7-5-6-17(14-18)24-22(28)16-10-11-16/h2-9,14,16,20H,10-13,15H2,1H3,(H,24,28)(H,25,29)(H,26,27)