3-(1,3-benzothiazol-5-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(1,3-benzothiazol-5-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(1,3-benzothiazol-5-yl)-2-(4-benzoyl-2-methyl-piperazin-1-yl)-3-oxo-propanenitrile CAS Name: 3-(1,3-benzothiazol-5-yl)-2-(4-benzoyl-2-methyl-1-piperazinyl)-3-oxopropanenitrile IUPAC Name: 3-(1,3-benzothiazol-5-yl)-2-(4-benzoyl-2-methylpiperazin-1-yl)-3-oxopropanenitrile Traditional Name: 3-(1,3-benzothiazol-5-yl)-2-(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(C#N)C(=O)C2=CC3=C(C=C2)SC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(C#N)C(=O)C2=CC3=C(C=C2)SC=N3)C(=O)C4=CC=CC=C4

InChI

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