N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C30H24ClN3O2S MolecularWeight: 526.04846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C30H24ClN3O2S/c1-2-19-13-16-26-25(17-19)33-29(36-26)23-18-22(14-15-24(23)31)32-30(37)34-28(35)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,27H,2H2,1H3,(H2,32,34,35,37)