4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-[4-(3-methoxyphenyl)-2-thiazolyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C22H32N5O2S2+ MolecularWeight: 462.65178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C22H31N5O2S2/c1-28-19-5-2-4-18(16-19)20-17-31-22(24-20)27-10-8-26(9-11-27)21(30)23-6-3-7-25-12-14-29-15-13-25/h2,4-5,16-17H,3,6-15H2,1H3,(H,23,30)/p+1