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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

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