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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]-3-methyl-butanethioamide Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-indol-3-yl]-3-methyl-butanethioamide CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-3-indolyl]-3-methylbutanethioamide IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methylindol-3-yl]-3-methylbutanethioamide Traditional Name: 4-[1-(4-bromobenzyl)-5-chloro-2-methyl-indol-3-yl]-3-methyl-thiobutyramide Formula: C21H22BrClN2S MolecularWeight: 449.83478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrClN2S/c1-13(10-21(24)26)9-18-14(2)25(12-15-3-5-16(22)6-4-15)20-8-7-17(23)11-19(18)20/h3-8,11,13H,9-10,12H2,1-2H3,(H2,24,26)