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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S/c1-14(2)12-20(27)25-23(29)24-17-8-5-7-16(13-17)22-26-21-18-9-4-3-6-15(18)10-11-19(21)28-22/h3-11,13-14H,12H2,1-2H3,(H2,24,25,27,29)