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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2OS/c1-15-19(5-4-6-22(27)24-2)20-13-18(26-3)11-12-21(20)25(15)14-16-7-9-17(23)10-8-16/h7-13H,4-6,14H2,1-3H3,(H,24,27)