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

Systemtic Name: methyl (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H27N4O2S2+ MolecularWeight: 383.55188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NN3CC[NH+](CC3)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NN3CC[NH+](CC3)C

InChI

InChI=1S/C17H26N4O2S2/c1-11-4-5-12-13(10-11)25-15(14(12)16(22)23-3)18-17(24)19-21-8-6-20(2)7-9-21/h11H,4-10H2,1-3H3,(H2,18,19,24)/p+1/t11-/m1/s1