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

Systemtic Name: 4-bromanyl-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C25H23BrN4O2S MolecularWeight: 523.44472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H23BrN4O2S/c1-3-30(4-2)20-12-7-17(8-13-20)24-28-21-15-19(11-14-22(21)32-24)27-25(33)29-23(31)16-5-9-18(26)10-6-16/h5-15H,3-4H2,1-2H3,(H2,27,29,31,33)