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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H23N5O2S2/c1-4-13-12(2)27-15(14(13)16(24)25-3)21-18(26)23-10-8-22(9-11-23)17-19-6-5-7-20-17/h5-7H,4,8-11H2,1-3H3,(H,21,26)