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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C31H27N3O3S MolecularWeight: 521.62938

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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)CC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)SC4=CC=CC(=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O3S/c1-2-28(38-25-12-8-11-24(20-25)32-29(35)19-21-9-4-3-5-10-21)30(36)33-23-17-15-22(16-18-23)31-34-26-13-6-7-14-27(26)37-31/h3-18,20,28H,2,19H2,1H3,(H,32,35)(H,33,36)