N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H21ClN4O6S MolecularWeight: 480.92194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C20H21ClN4O6S/c1-29-17-11-14(18(30-2)10-13(17)21)22-20(32)23-19(26)12-3-4-15(16(9-12)25(27)28)24-5-7-31-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26,32)