4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanethioamide

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanethioamide Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanethioamide CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-3-methylbutanethioamide IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-3-methylbutanethioamide Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-3-methyl-thiobutyramide Formula: C22H25BrN2OS MolecularWeight: 445.4157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(C)CC(=S)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(C)CC(=S)N

InChI

InChI=1S/C22H25BrN2OS/c1-14(11-22(24)27)10-19-15(2)25(13-16-4-6-17(23)7-5-16)21-9-8-18(26-3)12-20(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H2,24,27)