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

Systemtic Name: methyl 5-ethyl-2-[(4-ethylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C15H23N3O2S2 MolecularWeight: 341.49202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC)C(=O)OC

InChI

InChI=1S/C15H23N3O2S2/c1-4-11-10-12(14(19)20-3)13(22-11)16-15(21)18-8-6-17(5-2)7-9-18/h10H,4-9H2,1-3H3,(H,16,21)