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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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