4-(4-bromophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-(2-morpholinoethyl)-3-nitro-benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O4S/c20-15-2-4-16(5-3-15)28-18-6-1-14(13-17(18)23(25)26)19(24)21-7-8-22-9-11-27-12-10-22/h1-6,13H,7-12H2,(H,21,24)