N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-5-nitro-2-(p-tolylsulfanyl)benzamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)thio]-5-nitrobenzamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-5-nitro-2-(p-tolylthio)benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H21N3O3S/c1-16-6-9-19(10-7-16)31-23-11-8-18(27(29)30)14-21(23)24(28)25-13-12-17-15-26-22-5-3-2-4-20(17)22/h2-11,14-15,26H,12-13H2,1H3,(H,25,28)