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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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