dimethyl 4-[4-fluoranyl-3-[3-(4-propan-2-ylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[4-fluoranyl-3-[3-(4-propan-2-ylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[4-fluoro-3-[3-(4-isopropyl-1-piperidyl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[4-fluoro-3-[[[3-(4-propan-2-yl-1-piperidinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-fluoro-3-[3-(4-propan-2-ylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[4-fluoro-3-[3-(4-isopropylpiperidino)propylthiocarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C29H41FN4O4S MolecularWeight: 560.723643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=C(C=C2)F)NC(=S)NCCCN3CCC(CC3)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=C(C=C2)F)NC(=S)NCCCN3CCC(CC3)C(C)C)C(=O)OC

InChI

InChI=1S/C29H41FN4O4S/c1-17(2)20-10-14-34(15-11-20)13-7-12-31-29(39)33-23-16-21(8-9-22(23)30)26-24(27(35)37-5)18(3)32-19(4)25(26)28(36)38-6/h8-9,16-17,20,26,32H,7,10-15H2,1-6H3,(H2,31,33,39)