2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazino]sulfonylbenzonitrile Formula: C19H16N4O3S2 MolecularWeight: 412.48534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H16N4O3S2/c20-12-15-3-1-2-4-18(15)28(25,26)23-9-7-22(8-10-23)19(24)14-5-6-16-17(11-14)27-13-21-16/h1-6,11,13H,7-10H2