N-(4-butyl-2-methyl-phenyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-[cyclohexyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Formula: C23H35N3OS MolecularWeight: 401.6085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCCC3)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCCC3)C

InChI

InChI=1S/C23H35N3OS/c1-3-4-8-19-11-12-21(18(2)17-19)24-23(28)26-15-13-25(14-16-26)22(27)20-9-6-5-7-10-20/h11-12,17,20H,3-10,13-16H2,1-2H3,(H,24,28)