N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(2,6-dibromo-4-isopropyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(2,6-dibromo-4-propan-2-ylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(2,6-dibromo-4-isopropyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C21H25Br2N3OS MolecularWeight: 527.3157

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)Br

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)Br

InChI

InChI=1S/C21H25Br2N3OS/c1-14(2)15-12-16(22)20(17(23)13-15)24-21(27)26-10-8-25(9-11-26)18-6-4-5-7-19(18)28-3/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)