N-(4-bromanyl-3-methyl-phenyl)-2-(4-pyrrolidin-1-ylcarbothioylphenoxy)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(4-pyrrolidin-1-ylcarbothioylphenoxy)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-[1-pyrrolidinyl(sulfanylidene)methyl]phenoxy]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=S)N3CCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=S)N3CCCC3)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-14-12-16(6-9-18(14)21)22-19(24)13-25-17-7-4-15(5-8-17)20(26)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)