4-[[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide Openeye Name: 4-[[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide CAS Name: 4-[[(2S)-4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzamide IUPAC Name: 4-[[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Traditional Name: 4-[[(2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4S/c1-28-12-11-17(23-18(24)13-27-16-5-3-2-4-6-16)20(26)22-15-9-7-14(8-10-15)19(21)25/h2-10,17H,11-13H2,1H3,(H2,21,25)(H,22,26)(H,23,24)/t17-/m0/s1