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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methyl-propanamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methyl-propanamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methylpropanamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-2-methyl-propionamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-13(2)20(26)25-22(28)23-16-8-5-7-15(12-16)21-24-19-17-9-4-3-6-14(17)10-11-18(19)27-21/h3-13H,1-2H3,(H2,23,25,26,28)