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

Systemtic Name: 2-chloranyl-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-iodo-benzamide Formula: C25H22ClIN4O2S MolecularWeight: 604.89025

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=C(C=CC(=C4)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClIN4O2S/c1-3-31(4-2)18-9-5-15(6-10-18)24-29-21-14-17(8-12-22(21)33-24)28-25(34)30-23(32)19-13-16(27)7-11-20(19)26/h5-14H,3-4H2,1-2H3,(H2,28,30,32,34)