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

Systemtic Name: methyl 5-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C16H19N5O2S2/c1-11-10-12(14(22)23-2)13(25-11)19-16(24)21-8-6-20(7-9-21)15-17-4-3-5-18-15/h3-5,10H,6-9H2,1-2H3,(H,19,24)