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

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C25H21Br2N3O3S MolecularWeight: 603.32554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br

InChI

InChI=1S/C25H21Br2N3O3S/c1-13(2)14-7-8-21-20(10-14)29-24(33-21)15-5-4-6-17(9-15)28-25(34)30-23(31)18-11-16(26)12-19(27)22(18)32-3/h4-13H,1-3H3,(H2,28,30,31,34)