4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide CAS Name: 4-[(4-bromophenyl)thio]-3-nitro-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-[3-(2-ketopyrrolidino)propyl]-3-nitro-benzamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN3O4S/c21-15-5-7-16(8-6-15)29-18-9-4-14(13-17(18)24(27)28)20(26)22-10-2-12-23-11-1-3-19(23)25/h4-9,13H,1-3,10-12H2,(H,22,26)