2-(2-tert-butylsulfanylethylamino)-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 2-(2-tert-butylsulfanylethylamino)-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-(2-tert-butylsulfanylethylamino)-4-methyl-pentanamide CAS Name: 2-[2-(tert-butylthio)ethylamino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-(2-tert-butylsulfanylethylamino)-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: N-[1-benzyl-2-keto-2-(methylamino)ethyl]-2-[2-(tert-butylthio)ethylamino]-4-methyl-valeramide Formula: C22H37N3O2S MolecularWeight: 407.61308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NCCSC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NCCSC(C)(C)C

InChI

InChI=1S/C22H37N3O2S/c1-16(2)14-18(24-12-13-28-22(3,4)5)21(27)25-19(20(26)23-6)15-17-10-8-7-9-11-17/h7-11,16,18-19,24H,12-15H2,1-6H3,(H,23,26)(H,25,27)