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

Systemtic Name: methyl 2-[(4-ethylpiperazin-4-ium-1-yl)carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-4-22-10-12-23(13-11-22)20(26)21-18-17(19(24)25-3)16(14(2)27-18)15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3,(H,21,26)/p+1