N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-1-naphthamide Formula: C21H16N4O3S MolecularWeight: 404.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H16N4O3S/c1-12(26)22-14-9-10-17-18(11-14)28-20(23-17)25-21(29)24-19(27)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,22,26)(H2,23,24,25,27,29)