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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)OC)OC

InChI

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