N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butanamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butyramide Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)SC4=CC=CC(=C4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)SC4=CC=CC(=C4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O4S/c1-2-28(39-25-12-8-9-23(19-25)32-29(35)20-37-24-10-4-3-5-11-24)30(36)33-22-17-15-21(16-18-22)31-34-26-13-6-7-14-27(26)38-31/h3-19,28H,2,20H2,1H3,(H,32,35)(H,33,36)