2-[4-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazino]sulfonylbenzonitrile Formula: C23H18N4O3S3 MolecularWeight: 494.60902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C23H18N4O3S3/c24-15-16-5-1-4-8-21(16)33(29,30)27-13-11-26(12-14-27)23(28)20-10-9-19(31-20)22-25-17-6-2-3-7-18(17)32-22/h1-10H,11-14H2