N-(2-tert-butyl-6-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-(2-tert-butyl-6-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(2-tert-butyl-6-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(2-tert-butyl-6-methylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(2-tert-butyl-6-methyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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