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

Systemtic Name: methyl 3-[(4-ethylpiperazin-1-yl)carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C13H19N3O2S2/c1-3-15-5-7-16(8-6-15)13(19)14-10-4-9-20-11(10)12(17)18-2/h4,9H,3,5-8H2,1-2H3,(H,14,19)