3-bromanyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C25H22BrN3O4S MolecularWeight: 540.42888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

InChI

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