N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-1-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=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

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