N-[5-methyl-3-[(4-methylpiperazin-1-yl)-pyridin-4-yl-methyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[5-methyl-3-[(4-methylpiperazin-1-yl)-pyridin-4-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[5-methyl-3-[(4-methylpiperazin-1-yl)-(4-pyridyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[5-methyl-3-[(4-methyl-1-piperazinyl)-pyridin-4-ylmethyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[5-methyl-3-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[5-methyl-3-[(4-methylpiperazino)-(4-pyridyl)methyl]-2-thienyl]-2-furamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(C3=CC=NC=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(C3=CC=NC=C3)N4CCN(CC4)C

InChI

InChI=1S/C21H24N4O2S/c1-15-14-17(21(28-15)23-20(26)18-4-3-13-27-18)19(16-5-7-22-8-6-16)25-11-9-24(2)10-12-25/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26)