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

Systemtic Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C30H25N3O2S MolecularWeight: 491.6034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25N3O2S/c1-2-20-13-18-26-25(19-20)32-29(35-26)23-14-16-24(17-15-23)31-30(36)33-28(34)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-19,27H,2H2,1H3,(H2,31,33,34,36)