4-tert-butyl-N-[3-oxidanylidene-3-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-oxo-3-[2-(2-thienylmethylsulfanyl)ethylamino]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-[2-(thiophen-2-ylmethylthio)ethylamino]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-oxo-3-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[2-(2-thenylthio)ethylamino]propyl]benzamide Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C21H28N2O2S2/c1-21(2,3)17-8-6-16(7-9-17)20(25)23-11-10-19(24)22-12-14-26-15-18-5-4-13-27-18/h4-9,13H,10-12,14-15H2,1-3H3,(H,22,24)(H,23,25)