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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

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