(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide Openeye Name: (2S)-3-methyl-2-(p-tolylsulfonylamino)-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]butanamide CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide Traditional Name: (2S)-3-methyl-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]-2-(tosylamino)butyramide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

InChI

InChI=1S/C21H24N4O3S2/c1-14(2)19(24-30(27,28)18-9-7-15(3)8-10-18)20(26)23-16-5-4-6-17(13-16)25-12-11-22-21(25)29/h4-14,19,24H,1-3H3,(H,22,29)(H,23,26)/t19-/m0/s1