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

Systemtic Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-3-methylsulfanyl-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-4-(methylthio)-1-oxo-1-(4-thiazolylmethylamino)butan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-3-(methylthio)-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C20H27N3O2S2/c1-20(2,3)15-7-5-14(6-8-15)18(24)23-17(9-10-26-4)19(25)21-11-16-12-27-13-22-16/h5-8,12-13,17H,9-11H2,1-4H3,(H,21,25)(H,23,24)/t17-/m0/s1