3-chloranyl-4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C=C4)C)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C=C4)C)C)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-4-31-21-10-8-16(12-18(21)26)23(30)29-25(33)28-20-13-17(7-6-15(20)3)24-27-19-9-5-14(2)11-22(19)32-24/h5-13H,4H2,1-3H3,(H2,28,29,30,33)