2-[4-[2-(4-tert-butylphenyl)sulfanylethanoyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylethanoyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylacetyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylacetyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(4-tert-butylphenyl)thio]acetyl]piperazino]-N-propyl-acetamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H33N3O2S/c1-5-10-22-19(25)15-23-11-13-24(14-12-23)20(26)16-27-18-8-6-17(7-9-18)21(2,3)4/h6-9H,5,10-16H2,1-4H3,(H,22,25)