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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(diethylamino)benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(diethylamino)benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-(diethylamino)benzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(diethylamino)benzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-(diethylamino)benzamide Formula: C25H24N4O2S MolecularWeight: 444.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H24N4O2S/c1-3-29(4-2)20-15-11-17(12-16-20)23(30)28-25(32)26-19-13-9-18(10-14-19)24-27-21-7-5-6-8-22(21)31-24/h5-16H,3-4H2,1-2H3,(H2,26,28,30,32)