methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H23N4O2S2+ MolecularWeight: 355.49872

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C15H22N4O2S2/c1-18-6-8-19(9-7-18)17-15(22)16-13-12(14(20)21-2)10-4-3-5-11(10)23-13/h3-9H2,1-2H3,(H2,16,17,22)/p+1