(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile Openeye Name: (2Z)-4-(4-benzylpiperazin-1-yl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanenitrile IUPAC Name: (2Z)-4-(4-benzylpiperazin-1-yl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2Z)-4-(4-benzylpiperazino)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-25-20-9-5-6-10-22(20)29-23(25)19(15-24)21(28)17-27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10H,11-14,16-17H2,1H3/b23-19-