4-(4-bromophenyl)sulfanyl-N-[3-(diethylamino)propyl]-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-[3-(diethylamino)propyl]-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-[3-(diethylamino)propyl]-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-[3-(diethylamino)propyl]-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-[3-(diethylamino)propyl]-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-[3-(diethylamino)propyl]-3-nitro-benzamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H24BrN3O3S/c1-3-23(4-2)13-5-12-22-20(25)15-6-11-19(18(14-15)24(26)27)28-17-9-7-16(21)8-10-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,25)