2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-3-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanenitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 4-(4-benzylpiperazino)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-keto-butyronitrile Formula: C24H23BrN4OS MolecularWeight: 495.43462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=O)C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(=O)C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN4OS/c25-20-8-6-19(7-9-20)22-17-31-24(27-22)21(14-26)23(30)16-29-12-10-28(11-13-29)15-18-4-2-1-3-5-18/h1-9,17,21H,10-13,15-16H2