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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(4-butyl-2-methylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)C

InChI

InChI=1S/C23H31N3OS/c1-4-5-8-19-11-12-20(18(2)17-19)24-23(27)26-15-13-25(14-16-26)21-9-6-7-10-22(21)28-3/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3,(H,24,27)