methyl 5-ethyl-2-[(4-propylpiperazin-4-ium-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-propylpiperazin-4-ium-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-propylpiperazin-4-ium-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-propyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-propylpiperazin-4-ium-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-propylpiperazin-4-ium-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C16H26N3O2S2+ MolecularWeight: 356.52654

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=C(S2)CC)C(=O)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=C(S2)CC)C(=O)OC

InChI

InChI=1S/C16H25N3O2S2/c1-4-6-18-7-9-19(10-8-18)16(22)17-14-13(15(20)21-3)11-12(5-2)23-14/h11H,4-10H2,1-3H3,(H,17,22)/p+1