N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)C

InChI

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