3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(5-methyl-2-pyrazinyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide Formula: C16H18N4O2S3 MolecularWeight: 394.53472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CN=C(C=N1)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N4O2S3/c1-12-9-18-13(10-17-12)11-19-25(21,22)8-4-7-23-16-20-14-5-2-3-6-15(14)24-16/h2-3,5-6,9-10,19H,4,7-8,11H2,1H3