N-[[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C29H22ClN3O2S MolecularWeight: 512.02188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22ClN3O2S/c1-18-12-15-23-25(16-18)35-28(31-23)21-13-14-22(30)24(17-21)32-29(36)33-27(34)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,26H,1H3,(H2,32,33,34,36)