1-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]cyclopentane-1-carboxamide

Systemtic Name: 1-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]cyclopentane-1-carboxamide Openeye Name: 1-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]cyclopentanecarboxamide CAS Name: N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: 1-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]cyclopentane-1-carboxamide Traditional Name: 1-phenyl-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]cyclopentanecarboxamide Formula: C32H34N4O2S MolecularWeight: 538.70296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C32H34N4O2S/c37-29(18-13-25-9-3-1-4-10-25)36-23-21-35(22-24-36)28-16-14-27(15-17-28)33-31(39)34-30(38)32(19-7-8-20-32)26-11-5-2-6-12-26/h1-6,9-18H,7-8,19-24H2,(H2,33,34,38,39)/b18-13+