methyl (6R)-6-methyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-methyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-methyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-methyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H34N5O2S2+ MolecularWeight: 476.67836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CC[NH+](CC3)CC4=C(N(N=C4C)C)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CC[NH+](CC3)CC4=C(N(N=C4C)C)C

InChI

InChI=1S/C23H33N5O2S2/c1-14-6-7-17-19(12-14)32-21(20(17)22(29)30-5)24-23(31)28-10-8-27(9-11-28)13-18-15(2)25-26(4)16(18)3/h14H,6-13H2,1-5H3,(H,24,31)/p+1/t14-/m1/s1