3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(allylamino)-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(allylamino)-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C18H26N5OS2+ MolecularWeight: 392.56194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)SC(=N3)NCC=C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)SC(=N3)NCC=C

InChI

InChI=1S/C18H25N5OS2/c1-3-9-19-17-20-23(18(25)26-17)14-21-10-12-22(13-11-21)15-7-5-6-8-16(15)24-4-2/h3,5-8H,1,4,9-14H2,2H3,(H,19,20)/p+1