(E)-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O2S/c1-16-12-17(2)14-19(13-16)24-27-21-15-20(9-10-22(21)30-24)26-25(31)28-23(29)11-8-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,26,28,29,31)/b11-8+