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

Systemtic Name: 4-[(3-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole sulfate hydrate Openeye Name: 4-(m-tolylmethyl)-2-piperazin-1-yl-thiazole sulfate hydrate CAS Name: 4-[(3-methylphenyl)methyl]-2-(1-piperazinyl)thiazole sulfate hydrate IUPAC Name: 4-[(3-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole sulfate hydrate Traditional Name: 4-(3-methylbenzyl)-2-piperazino-thiazole sulfate hydrate Formula: C30H40N6O5S3-2 MolecularWeight: 660.8708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CSC(=N2)N3CCNCC3.CC1=CC(=CC=C1)CC2=CSC(=N2)N3CCNCC3.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CSC(=N2)N3CCNCC3.CC1=CC(=CC=C1)CC2=CSC(=N2)N3CCNCC3.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H19N3S.H2O4S.H2O/c2*1-12-3-2-4-13(9-12)10-14-11-19-15(17-14)18-7-5-16-6-8-18;1-5(2,3)4;/h2*2-4,9,11,16H,5-8,10H2,1H3;(H2,1,2,3,4);1H2/p-2