N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methyl-benzamide CAS Name: N-[2-[3-[(2,5-dimethylphenyl)methylthio]-1-indolyl]ethyl]-4-methylbenzamide IUPAC Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methylbenzamide Traditional Name: N-[2-[3-[(2,5-dimethylbenzyl)thio]indol-1-yl]ethyl]-4-methyl-benzamide Formula: C27H28N2OS MolecularWeight: 428.58902

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=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H28N2OS/c1-19-9-12-22(13-10-19)27(30)28-14-15-29-17-26(24-6-4-5-7-25(24)29)31-18-23-16-20(2)8-11-21(23)3/h4-13,16-17H,14-15,18H2,1-3H3,(H,28,30)