N-(4-bromanyl-2-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C19H22BrN3OS MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C19H22BrN3OS/c1-14-13-15(20)7-8-16(14)21-19(24)23-11-9-22(10-12-23)17-5-3-4-6-18(17)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)