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

Systemtic Name: N-[[2-chloranyl-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H22ClN3O4S/c1-4-14-5-10-21-20(11-14)27-24(33-21)15-6-9-18(26)19(12-15)28-25(34)29-23(30)17-8-7-16(31-2)13-22(17)32-3/h5-13H,4H2,1-3H3,(H2,28,29,30,34)