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

Systemtic Name: N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,5-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=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC(=C4)OC)OC)Cl

Isomeric SMILES

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

InChI

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