4-tert-butyl-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-1-(homoveratrylcarbamoyl)-3-(methylthio)propyl]benzamide Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C26H36N2O4S/c1-26(2,3)20-10-8-19(9-11-20)24(29)28-21(14-16-33-6)25(30)27-15-13-18-7-12-22(31-4)23(17-18)32-5/h7-12,17,21H,13-16H2,1-6H3,(H,27,30)(H,28,29)/t21-/m0/s1