4-methyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

Systemtic Name: 4-methyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Openeye Name: 4-methyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide CAS Name: 4-methyl-N-[2-[3-[(4-nitrophenyl)methylthio]-1-indolyl]ethyl]benzamide IUPAC Name: 4-methyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Traditional Name: 4-methyl-N-[2-[3-[(4-nitrobenzyl)thio]indol-1-yl]ethyl]benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O3S/c1-18-6-10-20(11-7-18)25(29)26-14-15-27-16-24(22-4-2-3-5-23(22)27)32-17-19-8-12-21(13-9-19)28(30)31/h2-13,16H,14-15,17H2,1H3,(H,26,29)