(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-cyclopentylsulfanyl-propanamide

Systemtic Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-cyclopentylsulfanyl-propanamide Openeye Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-cyclopentylsulfanyl-propanamide CAS Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyclopentylthio)propanamide IUPAC Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-cyclopentylsulfanylpropanamide Traditional Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyclopentylthio)propionamide Formula: C22H24N2OS2 MolecularWeight: 396.56876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)SC4CCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)SC4CCCC4

InChI

InChI=1S/C22H24N2OS2/c1-15(26-18-6-2-3-7-18)22(25)23-17-12-10-16(11-13-17)14-21-24-19-8-4-5-9-20(19)27-21/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,23,25)/t15-/m1/s1