N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C31H21N3O2S MolecularWeight: 499.58234

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=CC4=C(C=C3)OC(=N4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H21N3O2S/c35-29(23-15-13-21(14-16-23)20-7-2-1-3-8-20)34-31(37)32-24-17-18-28-27(19-24)33-30(36-28)26-12-6-10-22-9-4-5-11-25(22)26/h1-19H,(H2,32,34,35,37)