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

Systemtic Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(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=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

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

InChI

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