4-[2-[[1-(phenylmethyl)piperidin-4-yl]amino]-1,3-thiazol-4-yl]benzenecarbonitrile dihydrobromide

Systemtic Name: 4-[2-[[1-(phenylmethyl)piperidin-4-yl]amino]-1,3-thiazol-4-yl]benzenecarbonitrile dihydrobromide Openeye Name: 4-[2-[(1-benzyl-4-piperidyl)amino]thiazol-4-yl]benzonitrile dihydrobromide CAS Name: 4-[2-[[1-(phenylmethyl)-4-piperidinyl]amino]-4-thiazolyl]benzonitrile dihydrobromide IUPAC Name: 4-[2-[(1-benzylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]benzonitrile dihydrobromide Traditional Name: 4-[2-[(1-benzyl-4-piperidyl)amino]thiazol-4-yl]benzonitrile dihydrobromide Formula: C22H24Br2N4S MolecularWeight: 536.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC(=CS2)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4.Br.Br

Isomeric SMILES

C1CN(CCC1NC2=NC(=CS2)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4.Br.Br

InChI

InChI=1S/C22H22N4S.2BrH/c23-14-17-6-8-19(9-7-17)21-16-27-22(25-21)24-20-10-12-26(13-11-20)15-18-4-2-1-3-5-18;;/h1-9,16,20H,10-13,15H2,(H,24,25);2*1H