3-(3-cyclopentyloxy-4-methoxy-phenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanylidene-pyrazolidine-1-carbothioamide

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanylidene-pyrazolidine-1-carbothioamide Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-[(4-fluorophenyl)methyl]-2-methyl-5-oxo-pyrazolidine-1-carbothioamide CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-5-oxo-1-pyrazolidinecarbothioamide IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrazolidine-1-carbothioamide Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-(4-fluorobenzyl)-5-keto-2-methyl-pyrazolidine-1-carbothioamide Formula: C24H28FN3O3S MolecularWeight: 457.560823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(=O)N1C(=S)NCC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CN1C(CC(=O)N1C(=S)NCC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C24H28FN3O3S/c1-27-20(17-9-12-21(30-2)22(13-17)31-19-5-3-4-6-19)14-23(29)28(27)24(32)26-15-16-7-10-18(25)11-8-16/h7-13,19-20H,3-6,14-15H2,1-2H3,(H,26,32)