(2S)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]propanamide IUPAC Name: (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]propionamide Formula: C22H23N5O5S2 MolecularWeight: 501.57852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C22H23N5O5S2/c1-13(20(28)23-14-5-7-16-17(11-14)25-21(29)24-16)33-22-26-18-12-15(6-8-19(18)32-22)34(30,31)27-9-3-2-4-10-27/h5-8,11-13H,2-4,9-10H2,1H3,(H,23,28)(H2,24,25,29)/t13-/m0/s1