N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-2-(4-methylpiperazino)nicotinamide Formula: C23H30FN5O2S MolecularWeight: 459.580003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C)F

InChI

InChI=1S/C23H30FN5O2S/c1-3-4-5-15-31-20-9-8-17(16-19(20)24)26-23(32)27-22(30)18-7-6-10-25-21(18)29-13-11-28(2)12-14-29/h6-10,16H,3-5,11-15H2,1-2H3,(H2,26,27,30,32)