N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C23H23N5O6S2 MolecularWeight: 529.58862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H23N5O6S2/c1-32-19-6-4-14(12-20(19)33-2)16-13-36-23(24-16)26-22(35)25-21(29)15-3-5-17(18(11-15)28(30)31)27-7-9-34-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,26,29,35)