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

Systemtic Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methyl-benzamide Openeye Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methyl-benzamide CAS Name: N-[2-[3-[(4-bromophenyl)methylthio]-1-indolyl]ethyl]-2-methylbenzamide IUPAC Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methylbenzamide Traditional Name: N-[2-[3-[(4-bromobenzyl)thio]indol-1-yl]ethyl]-2-methyl-benzamide Formula: C25H23BrN2OS MolecularWeight: 479.43192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H23BrN2OS/c1-18-6-2-3-7-21(18)25(29)27-14-15-28-16-24(22-8-4-5-9-23(22)28)30-17-19-10-12-20(26)13-11-19/h2-13,16H,14-15,17H2,1H3,(H,27,29)