2-(1,3-benzothiazol-2-yl)-3-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-benzoyl-2-methyl-piperazin-1-yl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-benzoyl-2-methyl-1-piperazinyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-benzoyl-2-methylpiperazin-1-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-benzoyl-2-methyl-piperazino)-3-keto-propionitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C#N)C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C(C#N)C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-15-14-25(21(27)16-7-3-2-4-8-16)11-12-26(15)22(28)17(13-23)20-24-18-9-5-6-10-19(18)29-20/h2-10,15,17H,11-12,14H2,1H3