3-(2-ethyl-3-methyl-phenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2-ethyl-3-methyl-phenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2-ethyl-3-methyl-phenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2-ethyl-3-methylphenyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2-ethyl-3-methylphenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2-ethyl-3-methyl-phenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thenyl)thiourea Formula: C24H36N3S2+ MolecularWeight: 430.69274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC(=S)N(CC2=CC=CS2)C3CC([NH2+]C(C3)(C)C)(C)C)C

Isomeric SMILES

CCC1=C(C=CC=C1NC(=S)N(CC2=CC=CS2)C3CC([NH2+]C(C3)(C)C)(C)C)C

InChI

InChI=1S/C24H35N3S2/c1-7-20-17(2)10-8-12-21(20)25-22(28)27(16-19-11-9-13-29-19)18-14-23(3,4)26-24(5,6)15-18/h8-13,18,26H,7,14-16H2,1-6H3,(H,25,28)/p+1