4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[4-(3-methoxyphenyl)-2-thiazolyl]-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C16H21N4OS2+ MolecularWeight: 349.49414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=S)N)C2=NC(=CS2)C3=CC(=CC=C3)OC

Isomeric SMILES

C[N+]1(CCN(CC1)C(=S)N)C2=NC(=CS2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H20N4OS2/c1-20(8-6-19(7-9-20)15(17)22)16-18-14(11-23-16)12-4-3-5-13(10-12)21-2/h3-5,10-11H,6-9H2,1-2H3,(H-,17,22)/p+1