2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-pivaloylpiperazino)phenyl]acetamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C

InChI

InChI=1S/C27H37N3O2S/c1-26(2,3)20-7-13-23(14-8-20)33-19-24(31)28-21-9-11-22(12-10-21)29-15-17-30(18-16-29)25(32)27(4,5)6/h7-14H,15-19H2,1-6H3,(H,28,31)