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

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-isobutyrylpiperazino)phenyl]acetamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H35N3O2S/c1-19(2)25(31)29-16-14-28(15-17-29)22-10-8-21(9-11-22)27-24(30)18-32-23-12-6-20(7-13-23)26(3,4)5/h6-13,19H,14-18H2,1-5H3,(H,27,30)