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

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-benzylpiperazin-1-yl)-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-benzylpiperazin-1-yl)-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-benzylpiperazino)-3-keto-butyronitrile Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(=O)C(=C3NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C22H22N4OS/c23-14-18(22-24-19-8-4-5-9-21(19)28-22)20(27)16-26-12-10-25(11-13-26)15-17-6-2-1-3-7-17/h1-9,24H,10-13,15-16H2