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

Systemtic Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C28H20ClN3O2S MolecularWeight: 497.9953

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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=CC4=C(C=C3)OC(=N4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H20ClN3O2S/c29-22-12-6-18(7-13-22)16-26-31-24-17-23(14-15-25(24)34-26)30-28(35)32-27(33)21-10-8-20(9-11-21)19-4-2-1-3-5-19/h1-15,17H,16H2,(H2,30,32,33,35)