N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C27H19N3O2S MolecularWeight: 449.52366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H19N3O2S/c31-25(20-15-13-19(14-16-20)18-7-2-1-3-8-18)30-27(33)28-22-10-6-9-21(17-22)26-29-23-11-4-5-12-24(23)32-26/h1-17H,(H2,28,30,31,33)