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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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