N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C30H30ClFN4O2S MolecularWeight: 565.101203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C30H30ClFN4O2S/c31-22-12-13-26(35-16-18-36(19-17-35)27(37)23-10-4-5-11-24(23)32)25(20-22)33-29(39)34-28(38)30(14-6-7-15-30)21-8-2-1-3-9-21/h1-5,8-13,20H,6-7,14-19H2,(H2,33,34,38,39)