(2S,4S)-1-(cyclohexylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-1-(cyclohexylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-1-(cyclohexylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylsulfanyl)pyrrolidine-2-carboxamide CAS Name: (2S,4S)-1-(cyclohexylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-1-(cyclohexylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4S)-1-(cyclohexylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylthio)pyrrolidine-2-carboxamide Formula: C25H30N4OS2 MolecularWeight: 466.6619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CC(CN3CC4CCCCC4)SC5=CC=CC=N5

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)[C@@H]3C[C@@H](CN3CC4CCCCC4)SC5=CC=CC=N5

InChI

InChI=1S/C25H30N4OS2/c1-17-27-21-13-19(10-11-23(21)31-17)28-25(30)22-14-20(32-24-9-5-6-12-26-24)16-29(22)15-18-7-3-2-4-8-18/h5-6,9-13,18,20,22H,2-4,7-8,14-16H2,1H3,(H,28,30)/t20-,22-/m0/s1