N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]pentanamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]pentanamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]pentanamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]pentanamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]valeramide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC4=CC=CC=C43

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O2S/c1-2-3-11-20(27)25-23(29)24-17-9-6-8-16(14-17)22-26-21-18-10-5-4-7-15(18)12-13-19(21)28-22/h4-10,12-14H,2-3,11H2,1H3,(H2,24,25,27,29)