2-[[2-bromanyl-4-[3-(dimethylaminomethyl)phenyl]thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[[2-bromanyl-4-[3-(dimethylaminomethyl)phenyl]thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[2-bromo-4-[3-(dimethylaminomethyl)phenyl]-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[2-bromo-4-[3-(dimethylaminomethyl)phenyl]-3-thiophenyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[2-bromo-4-[3-(dimethylaminomethyl)phenyl]thiophen-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[2-bromo-4-[3-(dimethylaminomethyl)phenyl]-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H27BrN4OS MolecularWeight: 463.43428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=C(SC=C1C2=CC(=CC=C2)CN(C)C)Br

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=C(SC=C1C2=CC(=CC=C2)CN(C)C)Br

InChI

InChI=1S/C21H27BrN4OS/c1-14(2)10-18(21(27)24-9-8-23)25-19-17(13-28-20(19)22)16-7-5-6-15(11-16)12-26(3)4/h5-7,11,13-14,18,25H,9-10,12H2,1-4H3,(H,24,27)