2-[4-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazinoyl]piperazino]sulfonylbenzonitrile Formula: C23H18N6O3S2 MolecularWeight: 490.55742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C23H18N6O3S2/c24-15-16-5-1-4-8-19(16)34(31,32)29-13-11-28(12-14-29)23(30)21-20(25-9-10-26-21)22-27-17-6-2-3-7-18(17)33-22/h1-10H,11-14H2