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

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

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

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