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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C25H22BrN3O4S MolecularWeight: 540.42888

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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=CC(=C4)OC)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O4S/c1-4-32-21-9-7-15(11-18(21)26)23(30)29-25(34)28-19-12-16(6-5-14(19)2)24-27-20-13-17(31-3)8-10-22(20)33-24/h5-13H,4H2,1-3H3,(H2,28,29,30,34)