N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC(=CC(=C4O3)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC(=CC(=C4O3)C)C)C

InChI

InChI=1S/C26H25N3O2S/c1-14-9-10-19(16(3)11-14)24(30)29-26(32)28-21-8-6-7-20(18(21)5)25-27-22-13-15(2)12-17(4)23(22)31-25/h6-13H,1-5H3,(H2,28,29,30,32)