4-[(3-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole; sulfuric acid; hydrate

Systemtic Name: 4-[(3-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole; sulfuric acid; hydrate Openeye Name: 4-(m-tolylmethyl)-2-piperazin-1-yl-thiazole; sulfuric acid; hydrate CAS Name: 4-[(3-methylphenyl)methyl]-2-(1-piperazinyl)thiazole; sulfuric acid; hydrate IUPAC Name: 4-[(3-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole; sulfuric acid; hydrate Traditional Name: 4-(3-methylbenzyl)-2-piperazino-thiazole; sulfuric acid; hydrate Formula: C15H23N3O5S2 MolecularWeight: 389.49022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CSC(=N2)N3CCNCC3.O.OS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CSC(=N2)N3CCNCC3.O.OS(=O)(=O)O

InChI

InChI=1S/C15H19N3S.H2O4S.H2O/c1-12-3-2-4-13(9-12)10-14-11-19-15(17-14)18-7-5-16-6-8-18;1-5(2,3)4;/h2-4,9,11,16H,5-8,10H2,1H3;(H2,1,2,3,4);1H2