phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone hydrate hydrochloride

Systemtic Name: phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone hydrate hydrochloride Openeye Name: phenyl-[4-[(2-piperazin-1-ylthiazol-4-yl)methyl]phenyl]methanone hydrate hydrochloride CAS Name: phenyl-[4-[[2-(1-piperazinyl)-4-thiazolyl]methyl]phenyl]methanone hydrate hydrochloride IUPAC Name: phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone hydrate hydrochloride Traditional Name: phenyl-[4-[(2-piperazinothiazol-4-yl)methyl]phenyl]methanone hydrate hydrochloride Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.O.Cl

Isomeric SMILES

C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C21H21N3OS.ClH.H2O/c25-20(17-4-2-1-3-5-17)18-8-6-16(7-9-18)14-19-15-26-21(23-19)24-12-10-22-11-13-24;;/h1-9,15,22H,10-14H2;1H;1H2