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

Systemtic Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C24H21N3O2S/c1-14-4-7-17(8-5-14)22(28)27-24(30)25-18-9-11-21-20(13-18)26-23(29-21)19-10-6-15(2)12-16(19)3/h4-13H,1-3H3,(H2,25,27,28,30)