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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(butanoylamino)phenyl]sulfanylbutanamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(3-butyramidophenyl)thio]butyramide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H27N3O3S/c1-3-8-25(31)28-20-9-7-10-21(17-20)34-24(4-2)26(32)29-19-15-13-18(14-16-19)27-30-22-11-5-6-12-23(22)33-27/h5-7,9-17,24H,3-4,8H2,1-2H3,(H,28,31)(H,29,32)