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

Systemtic Name: 4-[4-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C5)C#N

Isomeric SMILES

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

InChI

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