4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-3-methylsulfanyl-1-[(4-morpholinophenyl)carbamoyl]propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-4-(methylthio)-1-[4-(4-morpholinyl)anilino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-3-(methylthio)-1-[(4-morpholinophenyl)carbamoyl]propyl]benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C26H35N3O3S/c1-26(2,3)20-7-5-19(6-8-20)24(30)28-23(13-18-33-4)25(31)27-21-9-11-22(12-10-21)29-14-16-32-17-15-29/h5-12,23H,13-18H2,1-4H3,(H,27,31)(H,28,30)/t23-/m0/s1