2-chloranyl-5-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide

Systemtic Name: 2-chloranyl-5-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide Openeye Name: 2-chloro-5-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide CAS Name: 2-chloro-5-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzamide IUPAC Name: 2-chloro-5-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Traditional Name: 2-chloro-5-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4S/c1-29-10-9-17(24-18(25)12-28-14-5-3-2-4-6-14)20(27)23-13-7-8-16(21)15(11-13)19(22)26/h2-8,11,17H,9-10,12H2,1H3,(H2,22,26)(H,23,27)(H,24,25)