4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-isobutyl-4-[4-(p-tolyl)thiazol-2-yl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[4-(4-methylphenyl)-2-thiazolyl]-4-(2-methylpropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-isobutyl-4-[4-(p-tolyl)thiazol-2-yl]piperazin-4-ium-1-carbothioamide Formula: C19H27N4S2+ MolecularWeight: 375.57448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)[N+]3(CCN(CC3)C(=S)N)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)[N+]3(CCN(CC3)C(=S)N)CC(C)C

InChI

InChI=1S/C19H26N4S2/c1-14(2)12-23(10-8-22(9-11-23)18(20)24)19-21-17(13-25-19)16-6-4-15(3)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H-,20,24)/p+1