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

Systemtic Name: 5-bromanyl-N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C26H23BrClN3O3S MolecularWeight: 572.90112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)C(C)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)C(C)C)OC

InChI

InChI=1S/C26H23BrClN3O3S/c1-13(2)15-5-8-22-21(10-15)30-25(34-22)18-12-17(6-7-20(18)28)29-26(35)31-24(32)19-11-16(27)9-14(3)23(19)33-4/h5-13H,1-4H3,(H2,29,31,32,35)