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

Systemtic Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[2-(2,4-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(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC(=C4)C)C)C

Isomeric SMILES

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

InChI

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