2-(4-tert-butylphenyl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-tert-butylphenyl)thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-tert-butylphenyl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O2S2/c1-21(2,3)16-6-8-17(9-7-16)27-15-19(24)22-10-12-23(13-11-22)20(25)18-5-4-14-26-18/h4-9,14H,10-13,15H2,1-3H3