4-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide

Systemtic Name: 4-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: 4-(2-chlorophenyl)sulfanyl-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: 4-[(2-chlorophenyl)thio]-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: 4-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: 4-[(2-chlorophenyl)thio]-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4S/c21-16-4-1-2-5-18(16)29-19-7-6-15(14-17(19)24(26)27)20(25)22-8-3-9-23-10-12-28-13-11-23/h1-2,4-7,14H,3,8-13H2,(H,22,25)