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

Systemtic Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H21N3O2S/c1-2-17-10-15-24-23(16-17)29-26(32-24)19-11-13-20(14-12-19)28-27(33)30-25(31)22-9-5-7-18-6-3-4-8-21(18)22/h3-16H,2H2,1H3,(H2,28,30,31,33)