N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]valeramide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-2-3-9-23(29)28-25(31)26-20-14-15-22-21(16-20)27-24(30-22)19-12-10-18(11-13-19)17-7-5-4-6-8-17/h4-8,10-16H,2-3,9H2,1H3,(H2,26,28,29,31)