N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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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)C4=CC(=CC(=C4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2S/c1-14-7-15(2)10-18(9-14)23(29)28-25(31)26-20-5-6-22-21(13-20)27-24(30-22)19-11-16(3)8-17(4)12-19/h5-13H,1-4H3,(H2,26,28,29,31)