1-azanylsulfanylcarbonyl-3-butyl-2-(5-piperidin-1-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-azanylsulfanylcarbonyl-3-butyl-2-(5-piperidin-1-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-aminosulfanylcarbonyl-3-butyl-2-[5-(1-piperidyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(aminothio)-oxomethyl]-3-butyl-2-[5-(1-piperidinyl)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-aminosulfanylcarbonyl-3-butyl-2-(5-piperidin-1-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(aminothio)carbonyl-3-butyl-2-(5-piperidino-1,3-benzothiazol-6-yl)proline Formula: C22H30N4O3S2 MolecularWeight: 462.6286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(C1(C2=CC3=C(C=C2N4CCCCC4)N=CS3)C(=O)O)C(=O)SN

Isomeric SMILES

CCCCC1CCN(C1(C2=CC3=C(C=C2N4CCCCC4)N=CS3)C(=O)O)C(=O)SN

InChI

InChI=1S/C22H30N4O3S2/c1-2-3-7-15-8-11-26(21(29)31-23)22(15,20(27)28)16-12-19-17(24-14-30-19)13-18(16)25-9-5-4-6-10-25/h12-15H,2-11,23H2,1H3,(H,27,28)