N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]valeramide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C20H21N3O2S/c1-3-4-8-18(24)23-20(26)21-15-7-5-6-14(12-15)19-22-16-11-13(2)9-10-17(16)25-19/h5-7,9-12H,3-4,8H2,1-2H3,(H2,21,23,24,26)