2-(4-tert-butylphenyl)sulfanyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-propargylpiperazino)phenyl]acetamide Formula: C25H31N3OS MolecularWeight: 421.59814

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3OS/c1-5-14-27-15-17-28(18-16-27)22-10-8-21(9-11-22)26-24(29)19-30-23-12-6-20(7-13-23)25(2,3)4/h1,6-13H,14-19H2,2-4H3,(H,26,29)