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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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