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

Systemtic Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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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(=C(C=C4)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c1-14-5-8-18(15(2)11-14)24-27-19-13-17(7-10-20(19)32-24)26-25(33)28-23(29)16-6-9-21(30-3)22(12-16)31-4/h5-13H,1-4H3,(H2,26,28,29,33)