3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-2-naphthamide Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O3S/c1-31-23-14-18-10-6-5-9-17(18)13-20(23)24(30)29-26(33)27-19-11-12-22-21(15-19)28-25(32-22)16-7-3-2-4-8-16/h2-15H,1H3,(H2,27,29,30,33)