3-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-(2-diethylaminoethyl)-4-nitro-benzamide

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-(2-diethylaminoethyl)-4-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-3-(2,4-difluorophenyl)sulfanyl-4-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-3-[(2,4-difluorophenyl)thio]-4-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-3-(2,4-difluorophenyl)sulfanyl-4-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-3-[(2,4-difluorophenyl)thio]-4-nitro-benzamide Formula: C19H21F2N3O3S MolecularWeight: 409.450146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C19H21F2N3O3S/c1-3-23(4-2)10-9-22-19(25)13-5-7-16(24(26)27)18(11-13)28-17-8-6-14(20)12-15(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)