3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H20N4OS2/c26-20(10-13-27-21-24-18-4-1-2-5-19(18)28-21)22-14-16-6-8-17(9-7-16)15-25-12-3-11-23-25/h1-9,11-12H,10,13-15H2,(H,22,26)