N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S2/c1-33-15-14-22(28-24(30)17-32-20-10-3-2-4-11-20)25(31)27-19-9-7-8-18(16-19)26-29-21-12-5-6-13-23(21)34-26/h2-13,16,22H,14-15,17H2,1H3,(H,27,31)(H,28,30)