3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(3-methylphenyl)amino]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(3-methylphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(3-methylanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(3-methylanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(3-methylanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(m-toluidino)-1,3,4-thiadiazole-2-thione Formula: C17H25N4S2+ MolecularWeight: 349.5372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=CC(=C3)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=CC(=C3)C

InChI

InChI=1S/C17H24N4S2/c1-3-15-9-4-5-10-20(15)12-21-17(22)23-16(19-21)18-14-8-6-7-13(2)11-14/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,18,19)/p+1/t15-/m0/s1