N-[1-(3,4-diethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C25H25FN2O5S MolecularWeight: 484.539803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-])OCC

InChI

InChI=1S/C25H25FN2O5S/c1-4-32-22-12-6-17(15-23(22)33-5-2)16(3)27-25(29)18-7-13-24(21(14-18)28(30)31)34-20-10-8-19(26)9-11-20/h6-16H,4-5H2,1-3H3,(H,27,29)