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

Systemtic Name: ethyl (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H28N3O2S2+ MolecularWeight: 382.56382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=S)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H27N3O2S2/c1-4-23-17(22)15-13-6-5-12(2)11-14(13)25-16(15)19-18(24)21-9-7-20(3)8-10-21/h12H,4-11H2,1-3H3,(H,19,24)/p+1/t12-/m1/s1