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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25N3O3S/c1-20(37-25-17-15-23(16-18-25)31-28(34)19-21-7-3-2-4-8-21)29(35)32-24-13-11-22(12-14-24)30-33-26-9-5-6-10-27(26)36-30/h2-18,20H,19H2,1H3,(H,31,34)(H,32,35)