methyl 5-[2-[(4-methylpiperazin-1-yl)carbonylamino]phenyl]sulfanylfuran-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-methylpiperazin-1-yl)carbonylamino]phenyl]sulfanylfuran-2-carboxylate Openeye Name: methyl 5-[2-[(4-methylpiperazine-1-carbonyl)amino]phenyl]sulfanylfuran-2-carboxylate CAS Name: 5-[[2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]phenyl]thio]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(4-methylpiperazine-1-carbonyl)amino]phenyl]sulfanylfuran-2-carboxylate Traditional Name: 5-[[2-[(4-methylpiperazine-1-carbonyl)amino]phenyl]thio]furan-2-carboxylic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=CC=CC=C2SC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=CC=CC=C2SC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-20-9-11-21(12-10-20)18(23)19-13-5-3-4-6-15(13)26-16-8-7-14(25-16)17(22)24-2/h3-8H,9-12H2,1-2H3,(H,19,23)