N-(4-bromanyl-2,6-dimethyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C20H24BrN3OS MolecularWeight: 434.39306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)C)Br

InChI

InChI=1S/C20H24BrN3OS/c1-14-12-16(21)13-15(2)19(14)22-20(25)24-10-8-23(9-11-24)17-6-4-5-7-18(17)26-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)