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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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