2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-yl-3-oxidanylidene-propyl)-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-yl-3-oxidanylidene-propyl)-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(3-morpholino-3-oxo-propyl)-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-(4-morpholinyl)-3-oxopropyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-yl-3-oxopropyl)-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(3-keto-3-morpholino-propyl)-5-nitro-benzamide Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1C(=O)CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O5S/c21-14-1-4-16(5-2-14)30-18-6-3-15(24(27)28)13-17(18)20(26)22-8-7-19(25)23-9-11-29-12-10-23/h1-6,13H,7-12H2,(H,22,26)